Geometry & MOs

Info

ID:	24752
PubChem CID:	612987
Reduced:	N2O3C13H18 (1)
Stoich.:	A2B3C13D18 (1)
Weight, g/mol:	250.131742
ΔH_f, kcal/mol:	-113.37
Dipole, Da:	4.68
IP(EA), eV:	-9.38(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-hydroxy-1-(2-hydroxyethyl)-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)N1CC(CN(C2=CC=CC=C21)CCO)O

DOS

IR

Vibrations