Geometry & MOs

Info

ID:

449011

PubChem CID:

135295180

Reduced:

N3C30H35 (1)

Stoich.:

A3B30C35 (1)

Weight, g/mol:

493.358075

ΔHf, kcal/mol:

62.33

Dipole, Da:

7.95

IP(EA), eV:

 -8.1(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(Z)-1-[amino(methyl)amino]-1-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-[4-(2-methylbutan-2-yl)phenyl]-2,3-dihydropyrrolo[3,2-b]pyridin-6-yl]prop-1-en-2-amine

Drug info:

PubChemData

Smile

CC(=C(C1=CC2=C(C(=CN2CC3CCCCC3)C4=CC5=C(CC(=C)C5)C=C4)N=C1)C(=N)C)C

DOS

IR

Vibrations