Geometry & MOs

Info

ID:	200403
PubChem CID:	79382475
Reduced:	O2S2N3C14H25 (1)
Stoich.:	A2B2C3D14E25 (1)
Weight, g/mol:	252.102941
ΔH_f, kcal/mol:	-83.38
Dipole, Da:	3.59
IP(EA), eV:	-9.02(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-methylphenyl)-2-methylpyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CCCNCC1=C(N=C(S1)N2CCS(=O)(=O)CC2)C(C)C

DOS

IR

Vibrations