Geometry & MOs

Info

ID:	166201
PubChem CID:	74649857
Reduced:	O2N4C23H38 (1)
Stoich.:	A2B4C23D38 (1)
Weight, g/mol:	400.296402
ΔH_f, kcal/mol:	-106.76
Dipole, Da:	4.4
IP(EA), eV:	-8.7(0.31)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-[1-(3,4-dimethylphenyl)ethyl]acetamide

Drug info:

PubChemData

Smile

CCN(CC)C(CNC(=O)CCCNC(=O)NC1CCCCC1)C2=CC=CC=C2

DOS

IR

Vibrations