Geometry & MOs

Info

ID:	425787
PubChem CID:	135128001
Reduced:	ClN4H19C21 (1)
Stoich.:	AB4C19D21 (1)
Weight, g/mol:	513.252861
ΔH_f, kcal/mol:	95.24
Dipole, Da:	0.7
IP(EA), eV:	-8.6(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-pyridin-3-yl-6-[3-[2-(4-pyrrolidin-1-ylphenyl)prop-2-enoxy]phenyl]quinazolin-4-amine

Drug info:

PubChemData

Smile

CN(C)C1=NC(NC2=C1C=C(C=C2)C3=CC=C(C=C3)Cl)C4=CN=CC=C4

DOS

IR

Vibrations