Geometry & MOs

Info

ID:	438757
PubChem CID:	135228511
Reduced:	N2O3C23H30 (1)
Stoich.:	A2B3C23D30 (1)
Weight, g/mol:	389.235479
ΔH_f, kcal/mol:	-85.68
Dipole, Da:	3.16
IP(EA), eV:	-8.52(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C/C=C(\C(=C)/C=C\1/C2=CC(=C(C=C2CC(N1)C(C)(C)C)C(=N)C)OC)/C(=O)O

DOS

IR

Vibrations