Geometry & MOs

Info

ID:	45802
PubChem CID:	10517743
Reduced:	N2O4C15H20 (1)
Stoich.:	A2B4C15D20 (1)
Weight, g/mol:	292.121178
ΔH_f, kcal/mol:	-128.64
Dipole, Da:	6.2
IP(EA), eV:	-8.24(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(3-methylphenyl)-5-phenylpyrazole-3-carboxylate

Drug info:

PubChemData

Smile

CC(=O)NCCC1=CNC2=CC(=C(C(=C21)OC)OC)OC

DOS

IR

Vibrations