Geometry & MOs

Info

ID:	152396
PubChem CID:	56311314
Reduced:	N4O4C27H32 (1)
Stoich.:	A4B4C27D32 (1)
Weight, g/mol:	391.189592
ΔH_f, kcal/mol:	-121.82
Dipole, Da:	6.64
IP(EA), eV:	-8.52(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[2-(1H-indol-3-yl)-2-oxoethyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)N2C3=CC=CC=C3NC(=O)C24CCCC4)C5=CC=C(C=C5)C(=O)OC

DOS

IR

Vibrations