Geometry & MOs

Info

ID:	438748
PubChem CID:	135228501
Reduced:	N3O3C24H31 (1)
Stoich.:	A3B3C24D31 (1)
Weight, g/mol:	429.303165
ΔH_f, kcal/mol:	-89.22
Dipole, Da:	7.51
IP(EA), eV:	-9.21(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-tert-butyl-10-ethyl-2-methylidene-9-[(2E)-3-methylpenta-2,4-dien-2-yl]-6,7-dihydrobenzo[a]quinolizin-3-yl]butan-1-one

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1/C(=C/N)/C=N)CCC(C)C)C2=CC(=O)C(=CN2)C(=O)OCC

DOS

IR

Vibrations