Geometry & MOs

Info

ID:	193534
PubChem CID:	78404296
Reduced:	N3O4C19H21 (1)
Stoich.:	A3B4C19D21 (1)
Weight, g/mol:	347.126991
ΔH_f, kcal/mol:	-112.37
Dipole, Da:	6.47
IP(EA), eV:	-9.13(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)OCC(=O)C(=C2NC3CCCCC3N2)C#N)O

DOS

IR

Vibrations