Geometry & MOs

Info

ID:	152255
PubChem CID:	56311148
Reduced:	ClO2N6C23H25 (1)
Stoich.:	AB2C6D23E25 (1)
Weight, g/mol:	486.199109
ΔH_f, kcal/mol:	1.78
Dipole, Da:	1.57
IP(EA), eV:	-9.21(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)Cl)N4C=NC=N4

DOS

IR

Vibrations