Geometry & MOs

Info

ID:	196887
PubChem CID:	78889954
Reduced:	SN3O4C19H19 (1)
Stoich.:	AB3C4D19E19 (1)
Weight, g/mol:	406.236876
ΔH_f, kcal/mol:	-67.63
Dipole, Da:	6.09
IP(EA), eV:	-9.27(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-benzyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)NCC2=NN(C=C2)C3=CC=CC=C3

DOS

IR

Vibrations