Geometry & MOs

Info

ID:	198050
PubChem CID:	79038245
Reduced:	BrNO2C14H18 (1)
Stoich.:	ABC2D14E18 (1)
Weight, g/mol:	251.118925
ΔH_f, kcal/mol:	-68.41
Dipole, Da:	3.74
IP(EA), eV:	-9.07(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(6-chloropyridin-2-yl)methyl]-4-cyclopropylpiperazine

Drug info:

PubChemData

Smile

COC(=O)[C@H]1CCCN(C1)CC2=CC=C(C=C2)Br

DOS

IR

Vibrations