Geometry & MOs

Info

ID:	193496
PubChem CID:	78400345
Reduced:	N2O3C19H20 (1)
Stoich.:	A2B3C19D20 (1)
Weight, g/mol:	319.168462
ΔH_f, kcal/mol:	-35.71
Dipole, Da:	2.04
IP(EA), eV:	-8.45(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(3-methylpiperidin-1-yl)-4aH-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC1=NNC(=C2C=CC(=C(C2=O)C)OC)C1C3=CC=C(C=C3)OC

DOS

IR

Vibrations