Geometry & MOs

Info

ID:	296448
PubChem CID:	117574752
Reduced:	ClN3C8H12 (1)
Stoich.:	AB3C8D12 (1)
Weight, g/mol:	206.00548
ΔH_f, kcal/mol:	25.85
Dipole, Da:	2.41
IP(EA), eV:	-8.67(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(bromomethyl)piperazine-1-carbaldehyde

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)NCNN

DOS

IR

Vibrations