Geometry & MOs

Info

ID:	138372
PubChem CID:	52356973
Reduced:	NO2C11H14 (2)
Stoich.:	AB2C11D14 (2)
Weight, g/mol:	357.139865
ΔH_f, kcal/mol:	-120.03
Dipole, Da:	6.06
IP(EA), eV:	-8.3(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methylphenyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)N(C)C(=O)CN2C[C@H](C3=C(C=CC(=C3C2)OC)OC)O

DOS

IR

Vibrations