Geometry & MOs

Info

ID:	425757
PubChem CID:	135127845
Reduced:	O3N4H18C22 (1)
Stoich.:	A3B4C18D22 (1)
Weight, g/mol:	509.161853
ΔH_f, kcal/mol:	12.12
Dipole, Da:	2.63
IP(EA), eV:	-8.79(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-chlorophenyl)ethyl]-2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide

Drug info:

PubChemData

Smile

COC1=CC2=C(CC=C1)N=C(N=C2NC3=C(C=CC(=C3)C=O)O)C4=CN=CC=C4

DOS

IR

Vibrations