Geometry & MOs

Info

ID:	366553
PubChem CID:	127320069
Reduced:	ON2C11H17 (2)
Stoich.:	AB2C11D17 (2)
Weight, g/mol:	324.252526
ΔH_f, kcal/mol:	-89.06
Dipole, Da:	6.06
IP(EA), eV:	-8.3(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(azepan-1-yl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]propanamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=CC=C(C=C2)C(=O)NC3CCN(CC3)C(=O)C(C)C

DOS

IR

Vibrations