Geometry & MOs

Info

ID:	346794
PubChem CID:	127271298
Reduced:	O3N4C21H38 (1)
Stoich.:	A3B4C21D38 (1)
Weight, g/mol:	380.278741
ΔH_f, kcal/mol:	-175.53
Dipole, Da:	4.36
IP(EA), eV:	-8.85(0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(azepan-1-yl)-2-oxoethyl]-N-[1-(oxolan-2-yl)propan-2-yl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CC(CN(C1)C(=O)CN2CCN(CC2)C(=O)NC(C)CC3CCCO3)C

DOS

IR

Vibrations