Geometry & MOs

Info

ID:	131593
PubChem CID:	51231671
Reduced:	N3O6H19C20 (1)
Stoich.:	A3B6C19D20 (1)
Weight, g/mol:	335.163377
ΔH_f, kcal/mol:	-114.42
Dipole, Da:	9.23
IP(EA), eV:	-9.1(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-3-[[2-(2-methylindol-1-yl)acetyl]amino]benzamide

Drug info:

PubChemData

Smile

CCNC(=O)C1=CC(=CC=C1)NC(=O)/C=C/C2=CC(=CC3=C2OCOC3)[N+](=O)[O-]

DOS

IR

Vibrations