Geometry & MOs

Info

ID:	13781
PubChem CID:	398098
Reduced:	OCl2N2C20H29 (1)
Stoich.:	AB2C2D20E29 (1)
Weight, g/mol:	383.165694
ΔH_f, kcal/mol:	-46.98
Dipole, Da:	4.44
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755661
Charge, e:	1

Chem-info

IUPAC name:

2-(3,4-dichlorophenyl)-N-methyl-N-[(1S,2S)-2-(1-methylpyrrolidin-1-ium-1-yl)cyclohexyl]acetamide

Drug info:

PubChemData

Smile

CN([C@H]1CCCC[C@@H]1[N+]2(CCCC2)C)C(=O)CC3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations