Geometry & MOs

Info

ID:	405101
PubChem CID:	135072522
Reduced:	N2O2H18C19 (1)
Stoich.:	A2B2C18D19 (1)
Weight, g/mol:	292.121178
ΔH_f, kcal/mol:	-3.84
Dipole, Da:	2.98
IP(EA), eV:	-8.86(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(1-methyl-4-phenylpyrazol-3-yl)benzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=CC(=C1)C2=NN(C=C2C3=CC=CC=C3)C

DOS

IR

Vibrations