Geometry & MOs

Info

ID:	185940
PubChem CID:	77371511
Reduced:	N2O6C15H16 (1)
Stoich.:	A2B6C15D16 (1)
Weight, g/mol:	255.162314
ΔH_f, kcal/mol:	-220.03
Dipole, Da:	5.45
IP(EA), eV:	-9.97(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-ylidene)-2-phenylacetaldehyde

Drug info:

PubChemData

Smile

C1CC(=O)N(C1=O)C(C(=O)O)C(CC2=CC=CC=C2)(C(=O)O)N

DOS

IR

Vibrations