Geometry & MOs

Info

ID:	379719
PubChem CID:	134461007
Reduced:	INO2H12C23 (1)
Stoich.:	ABC2D12E23 (1)
Weight, g/mol:	333.122575
ΔH_f, kcal/mol:	17.29
Dipole, Da:	5.25
IP(EA), eV:	-8.9(-2.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one

Drug info:

PubChemData

Smile

CN1C(=O)C2=C3C(=CC=C4C3=C(C=C2)C5=C6C4=CC=C(C6=CC=C5)I)C1=O

DOS

IR

Vibrations