Geometry & MOs

Info

ID:	132041
PubChem CID:	51298260
Reduced:	ClN2O4C17H17 (1)
Stoich.:	AB2C4D17E17 (1)
Weight, g/mol:	359.17461
ΔH_f, kcal/mol:	-51.75
Dipole, Da:	7.16
IP(EA), eV:	-9.0(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylindol-1-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCC(=O)N(C)CC2=C(C=CC(=C2)[N+](=O)[O-])Cl

DOS

IR

Vibrations