Geometry & MOs

Info

ID:	302992
PubChem CID:	124489074
Reduced:	SN2O3C17H18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	258.069054
ΔH_f, kcal/mol:	-87.88
Dipole, Da:	3.97
IP(EA), eV:	-9.42(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[(3,4-dichlorophenyl)methyl]-N-methylpyrrolidin-3-amine

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)CC(=O)N[C@@H]2CCS(=O)(=O)C3=CC=CC=C23

DOS

IR

Vibrations