Geometry & MOs

Info

ID:	435651
PubChem CID:	135192062
Reduced:	FN2O4C29H33 (1)
Stoich.:	AB2C4D29E33 (1)
Weight, g/mol:	258.111676
ΔH_f, kcal/mol:	-162.01
Dipole, Da:	4.14
IP(EA), eV:	-8.39(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-7-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3-dihydro-1H-1,5-benzodiazepin-4-one

Drug info:

PubChemData

Smile

CCCOC1=CC(=C(C=C1)C2=C(C3=C(C=C2)NC(C(=O)N3C)(C)C)COC4=C(C=CC(=C4)F)C)OC

DOS

IR

Vibrations