Geometry & MOs

Info

ID:	345774
PubChem CID:	127270074
Reduced:	N2O2C15H26 (1)
Stoich.:	A2B2C15D26 (1)
Weight, g/mol:	331.237211
ΔH_f, kcal/mol:	-132.7
Dipole, Da:	4.8
IP(EA), eV:	-9.62(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC(CN1C(=O)C2CCCCCC2)C(=O)N

DOS

IR

Vibrations