Geometry & MOs

Info

ID:

180559

PubChem CID:

76654213

Reduced:

F4N7H21C29 (1)

Stoich.:

A4B7C21D29 (1)

Weight, g/mol:

491.204528

ΔHf, kcal/mol:

-8.21

Dipole, Da:

2.37

IP(EA), eV:

 -8.66(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-N-(cyclopropylmethyl)-4-methyl-2-N-[[5-[3-(trifluoromethyl)anilino]pyridin-2-yl]methylideneamino]quinazoline-2,8-diamine

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1NC2=CC=CC(=C2)C(F)(F)F)C=NNC3=NC=C(C(=N3)C4=CN=CC(=C4)C5=CC=CC=C5)F

DOS

IR

Vibrations