Geometry & MOs

Info

ID:	160370
PubChem CID:	57309718
Reduced:	N3C7H11 (2)
Stoich.:	A3B7C11 (2)
Weight, g/mol:	172.168797
ΔH_f, kcal/mol:	30.71
Dipole, Da:	4.06
IP(EA), eV:	-8.73(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-piperazin-1-ylbutane-2,2-diamine

Drug info:

PubChemData

Smile

CC1=CC(=C2CCCC(C2=C1)(N=C(N)N)N=C(N)N)C

DOS

IR

Vibrations