Geometry & MOs

Info

ID:	398785
PubChem CID:	135035402
Reduced:	ClN2C5H10 (1)
Stoich.:	AB2C5D10 (1)
Weight, g/mol:	294.184447
ΔH_f, kcal/mol:	11.48
Dipole, Da:	2.09
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.974070
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(1S,2S)-2-benzylcyclopropyl]piperazin-1-yl]pyrimidine

Drug info:

PubChemData

Smile

C[N+](=C/C(=C/N)/Cl)C

DOS

IR

Vibrations