Geometry & MOs

Info

ID:	83753
PubChem CID:	49860944
Reduced:	ClON4C17H31 (1)
Stoich.:	ABC4D17E31 (1)
Weight, g/mol:	351.055674
ΔH_f, kcal/mol:	-87.82
Dipole, Da:	3.08
IP(EA), eV:	-8.49(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-1H-indole-5-carboxylate;hydrochloride

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1)N(CCN(C(C)C)C(C)C)C(=O)NC)C.Cl

DOS

IR

Vibrations