Geometry & MOs

Info

ID:	83736
PubChem CID:	49860787
Reduced:	ClO2N5C18H26 (1)
Stoich.:	AB2C5D18E26 (1)
Weight, g/mol:	330.161125
ΔH_f, kcal/mol:	-27.23
Dipole, Da:	2.4
IP(EA), eV:	-8.57(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazin-1-yl]pyrimidine;hydrochloride

Drug info:

PubChemData

Smile

CC(C)N=C(N)/N=C(\N)/NOCCCOC1=CC2=CC=CC=C2C=C1.Cl

DOS

IR

Vibrations