Geometry & MOs

Info

ID:	68078
PubChem CID:	46507719
Reduced:	O2N4H16C17 (1)
Stoich.:	A2B4C16D17 (1)
Weight, g/mol:	336.147393
ΔH_f, kcal/mol:	-7.96
Dipole, Da:	2.1
IP(EA), eV:	-8.43(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-ethoxy-2-(4-ethylphenyl)-1,4-dihydrochromeno[2,3-c]pyrazol-3-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)C2=CNN3C2=NC4=C(C3=O)CCC4

DOS

IR

Vibrations