Geometry & MOs

Info

ID:	166356
PubChem CID:	74675910
Reduced:	N2O3C7H14 (1)
Stoich.:	A2B3C7D14 (1)
Weight, g/mol:	359.293663
ΔH_f, kcal/mol:	-152.64
Dipole, Da:	4.47
IP(EA), eV:	-9.96(0.86)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

2-[4-(azepan-1-ium-1-ylmethyl)piperidin-1-ium-1-yl]-N-(4-methylphenyl)propanamide

Drug info:

PubChemData

Smile

CC(=O)NC(CCC[NH3+])C(=O)[O-]

DOS

IR

Vibrations