Geometry & MOs

Info

ID:	193500
PubChem CID:	78401393
Reduced:	ON2C10H12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	308.116092
ΔH_f, kcal/mol:	5.7
Dipole, Da:	8.52
IP(EA), eV:	-8.74(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-3-methyl-4aH-quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=NOCC(=O)C(=C2NC3CCCCC3N2)C#N)C

DOS

IR

Vibrations