Geometry & MOs

Info

ID:	144851
PubChem CID:	53423079
Reduced:	Cl2O3C12H13 (1)
Stoich.:	A2B3C12D13 (1)
Weight, g/mol:	223.087625
ΔH_f, kcal/mol:	-75.71
Dipole, Da:	13.13
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.946648
Charge, e:	0

Chem-info

IUPAC name:

2-(5,8-dihydronaphthalen-1-yl)guanidine;hydrochloride

Drug info:

PubChemData

Smile

CCC(CCC(=O)[O-])OC1=C(C=C(C=C1)Cl)Cl

DOS

IR

Vibrations