Geometry & MOs

Info

ID:	136281
PubChem CID:	52011539
Reduced:	NO2C10H11 (2)
Stoich.:	AB2C10D11 (2)
Weight, g/mol:	359.17461
ΔH_f, kcal/mol:	-121.14
Dipole, Da:	4.08
IP(EA), eV:	-8.69(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-N-[2-(1H-indol-3-yl)ethyl]-5-methyltriazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)O[C@@](C(=O)N2C)(C)C(=O)NCC3=CC(=CC=C3)OC

DOS

IR

Vibrations