Geometry & MOs

Info

ID:	253585
PubChem CID:	103119400
Reduced:	O3N4C14H18 (1)
Stoich.:	A3B4C14D18 (1)
Weight, g/mol:	284.116092
ΔH_f, kcal/mol:	-56.87
Dipole, Da:	8.47
IP(EA), eV:	-8.93(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methoxy-2-(1-methylpyrazole-3-carbonyl)-3,4-dihydro-2H-naphthalen-1-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)CN2C(=C(N=N2)C(=O)O)CCN

DOS

IR

Vibrations