Geometry & MOs

Info

ID:	186173
PubChem CID:	77398470
Reduced:	O3N5C30H31 (1)
Stoich.:	A3B5C30D31 (1)
Weight, g/mol:	363.20591
ΔH_f, kcal/mol:	-38.45
Dipole, Da:	0.98
IP(EA), eV:	-8.26(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-cyclohexa-2,4-dien-1-ylpiperidin-3-yl)amino]-2-methylquinazoline-8-carboxamide

Drug info:

PubChemData

Smile

C1CC(NC1)C(=O)NC2=CC=C(C=C2)C=CC3=CC=C(C=C3)NC(=O)C4CCCN4C(=O)C5=CN=CC=C5

DOS

IR

Vibrations