Geometry & MOs

Info

ID:	405787
PubChem CID:	135075448
Reduced:	OCl2N2H8C14 (1)
Stoich.:	AB2C2D8E14 (1)
Weight, g/mol:	166.063481
ΔH_f, kcal/mol:	53.48
Dipole, Da:	8.29
IP(EA), eV:	-8.53(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(1-carboxy-4-chloropentyl)azanium

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)/C(=C/3\C=CC(=O)C(=C3)Cl)/NN=C2Cl

DOS

IR

Vibrations