Geometry & MOs

Info

ID:	139226
PubChem CID:	52494632
Reduced:	O3N4C22H34 (1)
Stoich.:	A3B4C22D34 (1)
Weight, g/mol:	391.085432
ΔH_f, kcal/mol:	-106.56
Dipole, Da:	4.19
IP(EA), eV:	-8.28(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-N-(3,5-dichlorophenyl)-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CN2CCN(CC2)CC3CC(=O)N4CCCCC4N3)OC

DOS

IR

Vibrations