Geometry & MOs

Info

ID:	425745
PubChem CID:	135127774
Reduced:	ClN3H18C23 (1)
Stoich.:	AB3C18D23 (1)
Weight, g/mol:	465.197631
ΔH_f, kcal/mol:	116.71
Dipole, Da:	4.07
IP(EA), eV:	-9.22(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E,5Z)-N-(2,2-difluoroethyl)-3-[(6-methoxy-8-methyl-2-pyridin-3-ylquinazolin-4-yl)amino]-2-methylidenehepta-3,5-dienamide

Drug info:

PubChemData

Smile

CC1CC1C2=CC=CC(=C2)C3=CC4=C(C=C3)N=C(N=C4Cl)C5=CN=CC=C5

DOS

IR

Vibrations