Geometry & MOs

Info

ID:	152074
PubChem CID:	56310926
Reduced:	N3O3C25H31 (1)
Stoich.:	A3B3C25D31 (1)
Weight, g/mol:	418.200491
ΔH_f, kcal/mol:	-85.13
Dipole, Da:	3.9
IP(EA), eV:	-8.49(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC2=CC=C(C=C2)C(=O)N3CCCC3)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations