Geometry & MOs

Info

ID:	371464
PubChem CID:	127346517
Reduced:	NO2C16H25 (1)
Stoich.:	AB2C16D25 (1)
Weight, g/mol:	274.131742
ΔH_f, kcal/mol:	-103.57
Dipole, Da:	5.91
IP(EA), eV:	-9.31(1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(oxolan-3-yl)acetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one

Drug info:

PubChemData

Smile

C1CC2(CCC=CC2)CN(C1)C(=O)CC3CCOC3

DOS

IR

Vibrations