Geometry & MOs

Info

ID:	171501
PubChem CID:	75384282
Reduced:	N3O4C23H37 (1)
Stoich.:	A3B4C23D37 (1)
Weight, g/mol:	341.16608
ΔH_f, kcal/mol:	-202.73
Dipole, Da:	4.18
IP(EA), eV:	-8.74(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylsulfonylcyclohexan-1-amine

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)NCC1=CC(=CC=C1)CN2CCOCC2)NC(=O)OC(C)(C)C

DOS

IR

Vibrations