Geometry & MOs

Info

ID:	425777
PubChem CID:	135127939
Reduced:	FN3C24H30 (1)
Stoich.:	AB3C24D30 (1)
Weight, g/mol:	509.161853
ΔH_f, kcal/mol:	-6.63
Dipole, Da:	1.36
IP(EA), eV:	-8.5(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(7-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-[(3-ethoxyphenyl)methyl]benzamide

Drug info:

PubChemData

Smile

CCCC1C2=CC(CC=C2NC(=N1)C3CCCN=C3)C4=CC=CC(=C4F)CC

DOS

IR

Vibrations