Geometry & MOs

Info

ID:	193541
PubChem CID:	78404613
Reduced:	O3N6C23H28 (1)
Stoich.:	A3B6C23D28 (1)
Weight, g/mol:	391.153206
ΔH_f, kcal/mol:	8.58
Dipole, Da:	2.95
IP(EA), eV:	-8.6(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methoxyphenyl)-5-(3-methoxypropyl)-3-(6-oxocyclohexa-2,4-dien-1-ylidene)-2H-pyrrolo[3,4-c]pyrazol-6-one

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)C2C(=C(N=C3N2NNN3)C)C(=O)NC4=CC=CC=C4C)OC

DOS

IR

Vibrations