Geometry & MOs

Info

ID:	439001
PubChem CID:	135228763
Reduced:	NC9H12 (4)
Stoich.:	AB9C12 (4)
Weight, g/mol:	381.24565
ΔH_f, kcal/mol:	66.77
Dipole, Da:	8.56
IP(EA), eV:	-7.32(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butyl-3-ethenyl-10-ethyl-2-methylidene-9-phenyl-6,7-dihydrobenzo[a]quinolizine

Drug info:

PubChemData

Smile

CCC1=C(C=C2CC(N3C=C(C(=C)C=C3C2=C1)C(=C)C)C(C)(C)C)C4=CN(C(N=C4)N5CCC(CC5)C(=C)C)C

DOS

IR

Vibrations