Geometry & MOs

Info

ID:	358434
PubChem CID:	127296002
Reduced:	O2N3C14H25 (1)
Stoich.:	A2B3C14D25 (1)
Weight, g/mol:	296.221226
ΔH_f, kcal/mol:	-109.33
Dipole, Da:	5.06
IP(EA), eV:	-9.33(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(azepan-1-yl)-1-oxopropan-2-yl]-N-methylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)N1CCCN(CC1)C(=O)CC2CCCC2

DOS

IR

Vibrations