Geometry & MOs

Info

ID:	191065
PubChem CID:	78101022
Reduced:	N2O4C15H16 (1)
Stoich.:	A2B4C15D16 (1)
Weight, g/mol:	335.163377
ΔH_f, kcal/mol:	-60.99
Dipole, Da:	8.88
IP(EA), eV:	-8.56(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(hydroxymethyl)-4-(2-methyl-3-piperidin-4-ylideneindazol-5-ylidene)cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)NN=C2C=CC(=O)C=C2OC

DOS

IR

Vibrations