Geometry & MOs

Info

ID:	173123
PubChem CID:	75600863
Reduced:	N2O5C30H36 (1)
Stoich.:	A2B5C30D36 (1)
Weight, g/mol:	246.100442
ΔH_f, kcal/mol:	-158.07
Dipole, Da:	4.16
IP(EA), eV:	-8.26(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2,3-dimethoxyphenyl)methylidene]-3-methyl-1H-pyrazol-5-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C(CC2=CC(=C(C=C2C1C3=CC=C(C=C3)OC)OC)OC)CNC4=CC=CC=C4

DOS

IR

Vibrations