Geometry & MOs

Info

ID:

311971

PubChem CID:

126600084

Reduced:

N4C9H24 (1)

Stoich.:

A4B9C24 (1)

Weight, g/mol:

1050.472524

ΔHf, kcal/mol:

-23.44

Dipole, Da:

4.7

IP(EA), eV:

-9.14(2.62)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

tert-butyl 3-[[6-methoxy-5-[[8-[4-(prop-2-enoylamino)pyridin-2-yl]quinazolin-2-yl]amino]pyridin-2-yl]amino]azetidine-1-carboxylate;N-[2-[2-[[2-methoxy-6-[(1-methylazetidin-3-yl)amino]pyridin-3-yl]amino]quinazolin-8-yl]pyridin-4-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C(CNCCCCCN)N)N

DOS

IR

Vibrations