Geometry & MOs

Info

ID:	435229
PubChem CID:	135185514
Reduced:	ON7H13C16 (1)
Stoich.:	AB7C13D16 (1)
Weight, g/mol:	431.156909
ΔH_f, kcal/mol:	120.1
Dipole, Da:	6.8
IP(EA), eV:	-10.22(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclopropylmethyl)-N-[1-(2-pyridin-2-yl-1,2,4-triazol-3-yl)ethyl]-3-(trifluoromethoxy)benzamide

Drug info:

PubChemData

Smile

CC(C1=NC=NN1C2=NC=CC=N2)NC(=O)C3=CC=CC(=C3)C#N

DOS

IR

Vibrations