Geometry & MOs

Info

ID:	439044
PubChem CID:	135228807
Reduced:	NC5H11 (2)
Stoich.:	AB5C11 (2)
Weight, g/mol:	465.314398
ΔH_f, kcal/mol:	-18.87
Dipole, Da:	2.26
IP(EA), eV:	-8.48(1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-tert-butyl-10-ethyl-9-[(1E)-1-(2-methylbut-3-en-2-ylamino)buta-1,3-dien-2-yl]-2-methylidene-6,7-dihydrobenzo[a]quinolizin-3-yl]prop-2-enenitrile

Drug info:

PubChemData

Smile

CCCC(CCNC=C)C(C)N

DOS

IR

Vibrations