Geometry & MOs

Info

ID:	37902
PubChem CID:	8025433
Reduced:	ClN2O2C23H27 (1)
Stoich.:	AB2C2D23E27 (1)
Weight, g/mol:	323.113313
ΔH_f, kcal/mol:	-35.86
Dipole, Da:	2.84
IP(EA), eV:	-8.71(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CC(=NC[C@@H](C1=CC=C(C=C1)OC)N2CCCC2)CC(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations