Geometry & MOs

Info

ID:	402148
PubChem CID:	135054641
Reduced:	NO4C19H27 (1)
Stoich.:	AB4C19D27 (1)
Weight, g/mol:	354.113506
ΔH_f, kcal/mol:	-194.62
Dipole, Da:	1.56
IP(EA), eV:	-9.41(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R,4S)-4-(2-chlorophenyl)-2,9-dimethyl-3-nitro-1,2,3,4-tetrahydrocarbazole

Drug info:

PubChemData

Smile

CC(=O)C([C@@H](CCC1=CC=CC=C1)NC(=O)OC(C)(C)C)C(=O)C

DOS

IR

Vibrations