Geometry & MOs

Info

ID:	165911
PubChem CID:	74613107
Reduced:	IN2O2C20H24 (1)
Stoich.:	AB2C2D20E24 (1)
Weight, g/mol:	393.113658
ΔH_f, kcal/mol:	-15.32
Dipole, Da:	14.3
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.837258
Charge, e:	1

Chem-info

IUPAC name:

2,3-dichloro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]benzamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(CNC(=O)C2=CC=CC=C2I)[NH+]3CCCC3

DOS

IR

Vibrations