Geometry & MOs

Info

ID:	366560
PubChem CID:	127320089
Reduced:	N3O3C14H21 (1)
Stoich.:	A3B3C14D21 (1)
Weight, g/mol:	360.26376
ΔH_f, kcal/mol:	-99.82
Dipole, Da:	5.79
IP(EA), eV:	-9.65(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(azepan-1-yl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)CC(=O)NCCC(=O)N2CCCCC2

DOS

IR

Vibrations