Geometry & MOs

Info

ID:	192619
PubChem CID:	78291761
Reduced:	NSC4H5 (2)
Stoich.:	ABC4D5 (2)
Weight, g/mol:	641.192386
ΔH_f, kcal/mol:	32.72
Dipole, Da:	6.56
IP(EA), eV:	-8.49(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methylpyrido[3,2-c][1,5]benzodiazepin-5-one;pyrido[3,2-c][1,5]benzodiazepin-5-one

Drug info:

PubChemData

Smile

C1CNC(=S)NC1C2=CC=CS2

DOS

IR

Vibrations