Geometry & MOs

Info

ID:	175770
PubChem CID:	75944919
Reduced:	ClN3O4H22C23 (1)
Stoich.:	AB3C4D22E23 (1)
Weight, g/mol:	327.207253
ΔH_f, kcal/mol:	-44.2
Dipole, Da:	4.46
IP(EA), eV:	-9.15(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]amino]methyl]phenol

Drug info:

PubChemData

Smile

CC1=C2C(=NN(C(=O)C2=NO1)CC(COC(C)C3=CC=C(C=C3)Cl)O)C4=CC=CC=C4

DOS

IR

Vibrations