Geometry & MOs

Info

ID:	243391
PubChem CID:	99222744
Reduced:	N2O2F3C21H23 (1)
Stoich.:	A2B2C3D21E23 (1)
Weight, g/mol:	392.171162
ΔH_f, kcal/mol:	-221.64
Dipole, Da:	2.26
IP(EA), eV:	-9.48(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-2-oxoethyl)-N-[(1S)-1-(4-propylphenyl)ethyl]-4-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)[C@@H](C)N(CC(=O)N)C(=O)C2=CC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations