Geometry & MOs

Info

ID:	55668
PubChem CID:	17395768
Reduced:	ClN2O4H15C18 (1)
Stoich.:	AB2C4D15E18 (1)
Weight, g/mol:	371.140055
ΔH_f, kcal/mol:	-80.89
Dipole, Da:	6.09
IP(EA), eV:	-8.59(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[(2-chlorophenyl)methyl-methylamino]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C(=O)N/C(=C(/C=C3C=CC(=O)C=C3)\Cl)/N2)OC

DOS

IR

Vibrations