Geometry & MOs

Info

ID:	48141
PubChem CID:	10537431
Reduced:	N2O2C13H14 (1)
Stoich.:	A2B2C13D14 (1)
Weight, g/mol:	230.116761
ΔH_f, kcal/mol:	-34.76
Dipole, Da:	11.28
IP(EA), eV:	-9.08(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-hydrazinyl-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one

Drug info:

PubChemData

Smile

CCCOC1=CC2=CC(=C(C(=O)N2C1)C#N)C

DOS

IR

Vibrations