Geometry & MOs

Info

ID:	177071
PubChem CID:	76132276
Reduced:	N2O2C13H16 (1)
Stoich.:	A2B2C13D16 (1)
Weight, g/mol:	336.183778
ΔH_f, kcal/mol:	-57.9
Dipole, Da:	3.25
IP(EA), eV:	-9.92(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4a,5,5a,7,8,9,10,13a,15,15a,15b,16-dodecahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one

Drug info:

PubChemData

Smile

CCC1C(=NC2=C(C1=O)C(=CC(=N2)CO)C)C

DOS

IR

Vibrations