Geometry & MOs

Info

ID:	155926
PubChem CID:	56368325
Reduced:	O3N5H23C25 (1)
Stoich.:	A3B5C23D25 (1)
Weight, g/mol:	384.158626
ΔH_f, kcal/mol:	-16.64
Dipole, Da:	6.24
IP(EA), eV:	-8.99(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-benzyl-2-hydroxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C2=C(C3=CC=CC=C3C=C2)O)C(=O)NCC4=CC=C(C=C4)N5C=NC=N5

DOS

IR

Vibrations