Geometry & MOs

Info

ID:	363642
PubChem CID:	127311743
Reduced:	ClON2C9H12 (2)
Stoich.:	ABC2D9E12 (2)
Weight, g/mol:	365.279075
ΔH_f, kcal/mol:	-56.38
Dipole, Da:	5.96
IP(EA), eV:	-9.08(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(azepan-1-yl)-2-oxoethyl]-N-[2-[cyclopropyl(methyl)amino]ethyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CN(CCNC(=O)N1CCN(CC1)C(=O)C2=C(C=C(C=C2)Cl)Cl)C3CC3

DOS

IR

Vibrations