Geometry & MOs

Info

ID:	46138
PubChem CID:	10522369
Reduced:	N2O7C16H26 (1)
Stoich.:	A2B7C16D26 (1)
Weight, g/mol:	358.131742
ΔH_f, kcal/mol:	-307.77
Dipole, Da:	2.35
IP(EA), eV:	-10.04(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-2-methoxy-4-(5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)-5,6-dihydro-1H-benzo[h]quinoline-3-carbonitrile

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1[C@H](N1C(=O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)OCC

DOS

IR

Vibrations