Geometry & MOs

Info

ID:	141313
PubChem CID:	52858873
Reduced:	O3N4C17H26 (1)
Stoich.:	A3B4C17D26 (1)
Weight, g/mol:	325.191603
ΔH_f, kcal/mol:	-113.74
Dipole, Da:	6.65
IP(EA), eV:	-8.79(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(3-hydroxyphenyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide

Drug info:

PubChemData

Smile

CC(=O)C1=CNC(=C1)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C

DOS

IR

Vibrations