Geometry & MOs

Info

ID:	82104
PubChem CID:	49855608
Reduced:	ClO2N5C28H28 (1)
Stoich.:	AB2C5D28E28 (1)
Weight, g/mol:	487.177503
ΔH_f, kcal/mol:	4.87
Dipole, Da:	7.56
IP(EA), eV:	-8.41(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(7-chloro-3-methyl-4-oxoquinazolin-6-yl)methyl-(cyclopropylmethyl)amino]-N-(pyridin-3-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CC(=CCN(CC1=CC2=C(C=C1Cl)N=CN(C2=O)C)C3=CC=C(C=C3)C(=O)NCC4=CN=CC=C4)C

DOS

IR

Vibrations