Geometry & MOs

Info

ID:	31543
PubChem CID:	855850
Reduced:	OSN3C19H19 (1)
Stoich.:	ABC3D19E19 (1)
Weight, g/mol:	317.189198
ΔH_f, kcal/mol:	22.2
Dipole, Da:	4.02
IP(EA), eV:	-8.5(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(cyclohexylmethyl)-3,5-diphenyl-1,2,4-triazole

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)CSC2=NC=C(N2)C3=CC=CC=C3)C

DOS

IR

Vibrations