Geometry & MOs

Info

ID:	143469
PubChem CID:	53213552
Reduced:	ON3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	223.095691
ΔH_f, kcal/mol:	15.79
Dipole, Da:	5.56
IP(EA), eV:	-7.85(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid

Drug info:

PubChemData

Smile

CN1C2=C(C=CC(=C2)OC)N3C=CC=C3C14CCNCC4

DOS

IR

Vibrations