Geometry & MOs

Info

ID:	195968
PubChem CID:	78755090
Reduced:	NOC7H9 (3)
Stoich.:	ABC7D9 (3)
Weight, g/mol:	376.213735
ΔH_f, kcal/mol:	-95.6
Dipole, Da:	5.22
IP(EA), eV:	-8.73(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-naphthalen-1-ylethyl-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium

Drug info:

PubChemData

Smile

CC(C1=CC=CC2=CC=CC=C21)NC(=O)CN(C)CC(=O)N3CCOCC3

DOS

IR

Vibrations