Geometry & MOs

Info

ID:	2140
PubChem CID:	5979
Reduced:	N2O2C21H22 (1)
Stoich.:	A2B2C21D22 (1)
Weight, g/mol:	334.168128
ΔH_f, kcal/mol:	-14.68
Dipole, Da:	5.27
IP(EA), eV:	-8.56(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,5aS,8aR,15bR)-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one

Drug info:

PubChemData

Smile

C1CN2CC3=CCOC4CC(=O)N5C6[C@H]4[C@H]3C[C@H]2[C@@]61C7=CC=CC=C75

DOS

IR

Vibrations