Geometry & MOs

Info

ID:	438754
PubChem CID:	135228508
Reduced:	NO2C26H31 (1)
Stoich.:	AB2C26D31 (1)
Weight, g/mol:	335.188529
ΔH_f, kcal/mol:	-40.6
Dipole, Da:	7.52
IP(EA), eV:	-7.82(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butyl-2-methylidene-9-prop-1-en-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

Drug info:

PubChemData

Smile

C/C(=C(/C)\C1=C(C=C2C(=C1)CC(N3C2=CC(=C)C(=C3)C(=O)C)C(C)(C)C)O)/C=C

DOS

IR

Vibrations