Geometry & MOs

Info

ID:	338178
PubChem CID:	127258870
Reduced:	ClSH15C16 (1)
Stoich.:	ABC15D16 (1)
Weight, g/mol:	226.027583
ΔH_f, kcal/mol:	50.2
Dipole, Da:	1.01
IP(EA), eV:	-8.58(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1,7-dihydrodiazepine-2-carboxylate;dihydrochloride

Drug info:

PubChemData

Smile

CSC1=CC=C(C=C1)C2(CC2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations