Geometry & MOs

Info

ID:	120816
PubChem CID:	50745640
Reduced:	FON4H19C23 (1)
Stoich.:	ABC4D19E23 (1)
Weight, g/mol:	462.145868
ΔH_f, kcal/mol:	37.08
Dipole, Da:	6.04
IP(EA), eV:	-8.74(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-1-(4-chlorophenyl)-N-(2-hydroxyethyl)-5-(4-methoxyphenyl)-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)C2=NN(C(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)F

DOS

IR

Vibrations