Geometry & MOs

Info

ID:	363549
PubChem CID:	127311628
Reduced:	SN3O3C18H27 (1)
Stoich.:	AB3C3D18E27 (1)
Weight, g/mol:	350.268176
ΔH_f, kcal/mol:	-101.85
Dipole, Da:	6.19
IP(EA), eV:	-9.27(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(azepan-1-yl)-2-oxoethyl]-N-[(2,2-dimethylcyclopropyl)methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1(CC1CNC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C

DOS

IR

Vibrations