Geometry & MOs

Info

ID:	157107
PubChem CID:	56422140
Reduced:	N2O2C21H30 (1)
Stoich.:	A2B2C21D30 (1)
Weight, g/mol:	401.221561
ΔH_f, kcal/mol:	-62.07
Dipole, Da:	4.33
IP(EA), eV:	-8.65(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-N-(1H-indol-5-yl)-N-(4-methylpentan-2-yl)triazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(C)N(C1=CC2=C(C=C1)NC=C2)C(=O)C(C)OCC3CC3

DOS

IR

Vibrations