Geometry & MOs

Info

ID:	237351
PubChem CID:	92718849
Reduced:	N2O3C17H20 (1)
Stoich.:	A2B3C17D20 (1)
Weight, g/mol:	298.168128
ΔH_f, kcal/mol:	-20.12
Dipole, Da:	7.79
IP(EA), eV:	-8.81(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(2,3-dimethyl-5-nitrophenyl)-2-methyl-2-phenylpropan-1-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C)[C@@H](CC2=CC(=CC=C2)OC)N)[N+](=O)[O-]

DOS

IR

Vibrations