Geometry & MOs

Info

ID:	66031
PubChem CID:	46488201
Reduced:	NO2F3H16C17 (1)
Stoich.:	AB2C3D16E17 (1)
Weight, g/mol:	455.08445
ΔH_f, kcal/mol:	-214.06
Dipole, Da:	2.79
IP(EA), eV:	-9.63(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromophenyl)-N-(2,5-dimethoxyphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)NC(=O)CC2=CC=C(C=C2)OC(F)(F)F

DOS

IR

Vibrations