Geometry & MOs

Info

ID:	152401
PubChem CID:	56311320
Reduced:	O2N3C21H23 (1)
Stoich.:	A2B3C21D23 (1)
Weight, g/mol:	421.236542
ΔH_f, kcal/mol:	-7.83
Dipole, Da:	7.42
IP(EA), eV:	-8.42(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-methyl-4-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)piperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC2=CC=CC=C2C#N)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations