Geometry & MOs

Info

ID:	439054
PubChem CID:	135228817
Reduced:	ON2C24H30 (1)
Stoich.:	AB2C24D30 (1)
Weight, g/mol:	336.183778
ΔH_f, kcal/mol:	-14.4
Dipole, Da:	6.78
IP(EA), eV:	-7.53(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butyl-9-ethanimidoyl-2-methylidene-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=C(C=C2CC(N3C=C(C(=C)C=C3C2=C1)C(=C)C)C(C)(C)C)C(=O)N

DOS

IR

Vibrations