Geometry & MOs

Info

ID:	48940
PubChem CID:	11528499
Reduced:	ClN2H9C10 (1)
Stoich.:	AB2C9D10 (1)
Weight, g/mol:	193.123642
ΔH_f, kcal/mol:	30.76
Dipole, Da:	5.44
IP(EA), eV:	-8.53(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3,4-dihydroxyphenyl)(1,2-11C2)ethyl]guanidine

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C=C(C=C2)N)Cl

DOS

IR

Vibrations