Geometry & MOs

Info

ID:	335123
PubChem CID:	127253984
Reduced:	N5O5H23C24 (1)
Stoich.:	A5B5C23D24 (1)
Weight, g/mol:	398.199428
ΔH_f, kcal/mol:	-52.48
Dipole, Da:	9.96
IP(EA), eV:	-8.41(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]indeno[1,2-c]isoquinoline-5,11-dione

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C3=NNC(=C3CC2)C(=O)N4C[C@H]5C[C@@H](C4)C6=CC=C(C(=O)N6C5)[N+](=O)[O-]

DOS

IR

Vibrations