Geometry & MOs

Info

ID:	438730
PubChem CID:	135228483
Reduced:	N3O3C29H35 (1)
Stoich.:	A3B3C29D35 (1)
Weight, g/mol:	410.272199
ΔH_f, kcal/mol:	-21.85
Dipole, Da:	8.15
IP(EA), eV:	-8.0(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butyl-10-ethyl-2-methylidene-9-(6-methylpyridin-3-yl)-3-prop-1-en-2-yl-6,7-dihydrobenzo[a]quinolizine

Drug info:

PubChemData

Smile

CC(=O)C1=CN2C(CC3=CC(=C(CC3C2=CC1=O)OC)C4=CN=C(C=C4)N5CCCC5)C(C)(C)C

DOS

IR

Vibrations