Geometry & MOs

Info

ID:	400448
PubChem CID:	135047934
Reduced:	NOH11C13 (1)
Stoich.:	ABC11D13 (1)
Weight, g/mol:	255.125929
ΔH_f, kcal/mol:	42.13
Dipole, Da:	2.22
IP(EA), eV:	-9.56(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4bS,8aR)-7-methoxy-1,2,4-trimethyl-4b,8a-dihydrocarbazol-3-one

Drug info:

PubChemData

Smile

CC1=CC2=N[C@H]3C=CC=C[C@H]3C2=CC1=O

DOS

IR

Vibrations