Geometry & MOs

Info

ID:	404023
PubChem CID:	135064517
Reduced:	NC4H7 (3)
Stoich.:	AB4C7 (3)
Weight, g/mol:	289.121512
ΔH_f, kcal/mol:	10.02
Dipole, Da:	3.24
IP(EA), eV:	-8.44(1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(4-methoxyphenyl)-2-methylpyrazol-3-yl]benzonitrile

Drug info:

PubChemData

Smile

CC1CC(CN(C1)C2=CC(=NN2C)C)C

DOS

IR

Vibrations