Geometry & MOs

Info

ID:	438891
PubChem CID:	135228651
Reduced:	NC23H31 (1)
Stoich.:	AB23C31 (1)
Weight, g/mol:	456.277678
ΔH_f, kcal/mol:	37.12
Dipole, Da:	1.57
IP(EA), eV:	-8.86(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butyl-9-(4,6-dimethylpyridin-3-yl)-10-methoxy-3-pent-1-en-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one

Drug info:

PubChemData

Smile

CC=N/C=C(\C)/C1C=CC=CC1C(C)CC(C)C2=CC=CC=C2C

DOS

IR

Vibrations