Geometry & MOs

Info

ID:	336809
PubChem CID:	127255816
Reduced:	N2O2C7H10 (2)
Stoich.:	A2B2C7D10 (2)
Weight, g/mol:	217.121512
ΔH_f, kcal/mol:	-137.06
Dipole, Da:	8.7
IP(EA), eV:	-9.34(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(azetidin-3-yl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC(=NN=C2)C(=O)O

DOS

IR

Vibrations