Geometry & MOs

Info

ID:	23697
PubChem CID:	605409
Reduced:	NOC5H5 (2)
Stoich.:	ABC5D5 (2)
Weight, g/mol:	190.074228
ΔH_f, kcal/mol:	33.22
Dipole, Da:	2.02
IP(EA), eV:	-8.7(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methoxy-1-methylcyclohepta[c]pyrazol-8-one

Drug info:

PubChemData

Smile

CN1C2=C(C=CC=C(C2=O)OC)C=N1

DOS

IR

Vibrations