Geometry & MOs

Info

ID:	79812
PubChem CID:	49830549
Reduced:	FN7H12C16 (1)
Stoich.:	AB7C12D16 (1)
Weight, g/mol:	332.127326
ΔH_f, kcal/mol:	93.29
Dipole, Da:	1.45
IP(EA), eV:	-8.98(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methoxy-9-(pyridin-4-ylamino)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NC2=NC(=NC=N2)NC3=CC4=C(C=C3)C=NN4)F

DOS

IR

Vibrations