Geometry & MOs

Info

ID:	299415
PubChem CID:	117682865
Reduced:	ON2H14C17 (1)
Stoich.:	AB2C14D17 (1)
Weight, g/mol:	279.137162
ΔH_f, kcal/mol:	42.46
Dipole, Da:	5.48
IP(EA), eV:	-8.99(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(propylamino)-1H-quinazolin-2-ylidene]cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(C(=C(O2)N)C#N)C3=CC=CC=C3

DOS

IR

Vibrations