Geometry & MOs

Info

ID:	356894
PubChem CID:	127292498
Reduced:	ON2C10H17 (2)
Stoich.:	AB2C10D17 (2)
Weight, g/mol:	391.294725
ΔH_f, kcal/mol:	-101.83
Dipole, Da:	5.07
IP(EA), eV:	-9.02(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(azepan-1-yl)-2-oxoethyl]-N-(1-prop-2-enylpiperidin-4-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C=CCN1CCC(CC1)NC(=O)N2CCN(CC2)C(=O)C3CCCCC3

DOS

IR

Vibrations