Geometry & MOs

Info

ID:	337415
PubChem CID:	127257100
Reduced:	SO4N5H7C10 (1)
Stoich.:	AB4C5D7E10 (1)
Weight, g/mol:	230.105528
ΔH_f, kcal/mol:	23.32
Dipole, Da:	5.29
IP(EA), eV:	-10.38(-2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 1,3-benzodiazepine-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC2=C(N=C1)N(N=N2)OS(=O)(=O)OC3=CC=NC=C3

DOS

IR

Vibrations