Geometry & MOs

Info

ID:	396125
PubChem CID:	135027498
Reduced:	ON2H16C18 (1)
Stoich.:	AB2C16D18 (1)
Weight, g/mol:	292.121178
ΔH_f, kcal/mol:	44.72
Dipole, Da:	5.92
IP(EA), eV:	-8.99(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]-phenylmethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C=C(C(=N2)C)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations