Geometry & MOs

Info

ID:	439079
PubChem CID:	135228842
Reduced:	NOC15H19 (2)
Stoich.:	ABC15D19 (2)
Weight, g/mol:	423.2926
ΔH_f, kcal/mol:	-55.06
Dipole, Da:	11.03
IP(EA), eV:	-8.33(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butyl-10-ethyl-9-(4-ethylphenyl)-2-methylidene-3-prop-1-en-2-yl-6,7-dihydrobenzo[a]quinolizine

Drug info:

PubChemData

Smile

CCCC(=O)C1=CN2C(CC3=CC(=C(C=C3C2=CC1=O)CC)/C(=C/C=C(/C)\N)/C=C)C(C)(C)C

DOS

IR

Vibrations