Geometry & MOs

Info

ID:	440316
PubChem CID:	135230263
Reduced:	BrNC7H12 (1)
Stoich.:	ABC7D12 (1)
Weight, g/mol:	228.089022
ΔH_f, kcal/mol:	4.39
Dipole, Da:	1.86
IP(EA), eV:	-8.59(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-diamino-2-(2-amino-3-chlorophenyl)-1-methylguanidine

Drug info:

PubChemData

Smile

C=C(CBr)N1CCCC1

DOS

IR

Vibrations