Geometry & MOs

Info

ID:	160796
PubChem CID:	57389801
Reduced:	FON7H20C21 (1)
Stoich.:	ABC7D20E21 (1)
Weight, g/mol:	401.196408
ΔH_f, kcal/mol:	76.58
Dipole, Da:	4.44
IP(EA), eV:	-9.14(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-5-methyl-N-[2-(4-pyridin-2-ylpyrazol-1-yl)ethyl]-2-(triazol-2-yl)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2N=CC=N2)C(=O)N(C)CCN3C=CC(=N3)C4=NC=C(C=C4)F

DOS

IR

Vibrations