Geometry & MOs

Info

ID:	138104
PubChem CID:	52315199
Reduced:	ClO2N3C13H18 (1)
Stoich.:	AB2C3D13E18 (1)
Weight, g/mol:	392.171162
ΔH_f, kcal/mol:	-99.69
Dipole, Da:	0.93
IP(EA), eV:	-8.91(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-butan-2-yl]-3-[[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]methyl]benzamide

Drug info:

PubChemData

Smile

CCC[C@H](C(=O)NC1=CC(=C(C=C1)C)Cl)NC(=O)N

DOS

IR

Vibrations