Geometry & MOs

Info

ID:	383096
PubChem CID:	134974631
Reduced:	OYN2C7H7 (1)
Stoich.:	ABC2D7E7 (1)
Weight, g/mol:	308.152478
ΔH_f, kcal/mol:	62.42
Dipole, Da:	2.02
IP(EA), eV:	-5.68(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[(2S)-butan-2-yl]-6-methoxy-1H-quinazolin-4-ylidene]cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

C1=CC(=CC=[C-]1)C(=NO)N.[Y]

DOS

IR

Vibrations