Geometry & MOs

Info

ID:	404172
PubChem CID:	135065254
Reduced:	F2N4H16C17 (1)
Stoich.:	A2B4C16D17 (1)
Weight, g/mol:	262.110613
ΔH_f, kcal/mol:	-6.6
Dipole, Da:	3.66
IP(EA), eV:	-8.13(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-benzyl-3-phenyl-1H-pyrazole-4-carbaldehyde

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC2=CC(=NN2)NC3=CC=CC(=C3F)C)F

DOS

IR

Vibrations