Geometry & MOs

Info

ID:	196435
PubChem CID:	78826220
Reduced:	OS2N6H18C21 (1)
Stoich.:	AB2C6D18E21 (1)
Weight, g/mol:	353.123878
ΔH_f, kcal/mol:	104.35
Dipole, Da:	6.49
IP(EA), eV:	-8.67(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,5-dimethoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC2=NC(=CS2)CSC3=NN=C4N3C5=CC=CC=C5C(=O)N4C

DOS

IR

Vibrations