Geometry & MOs

Info

ID:	158576
PubChem CID:	56464210
Reduced:	N3O5C21H31 (1)
Stoich.:	A3B5C21D31 (1)
Weight, g/mol:	407.161184
ΔH_f, kcal/mol:	-190.6
Dipole, Da:	5.93
IP(EA), eV:	-8.55(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2-chlorophenyl)-2-[4-[3-(2-oxopyrrolidin-1-yl)propanoyl]piperazin-1-yl]acetate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(CNC(=O)CCN2CCCC2=O)N3CCOCC3)OC

DOS

IR

Vibrations