Geometry & MOs

Info

ID:	67343
PubChem CID:	46506311
Reduced:	O3N4C26H30 (1)
Stoich.:	A3B4C26D30 (1)
Weight, g/mol:	359.148121
ΔH_f, kcal/mol:	-87.15
Dipole, Da:	3.85
IP(EA), eV:	-8.28(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl]-1H-indole-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)CCNC(=O)CN3C=CC4=CC=CC=C4C3=O

DOS

IR

Vibrations