Geometry & MOs

Info

ID:	19632
PubChem CID:	569428
Reduced:	ON2H20C21 (1)
Stoich.:	AB2C20D21 (1)
Weight, g/mol:	316.157563
ΔH_f, kcal/mol:	34.14
Dipole, Da:	1.64
IP(EA), eV:	-9.08(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-methylphenyl)-4,5,6,7-tetrahydroindazol-2-yl]-phenylmethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C3CCCCC3=NN2C(=O)C4=CC=CC=C4

DOS

IR

Vibrations