Geometry & MOs

Info

ID:	138330
PubChem CID:	52348946
Reduced:	ON2C19H24 (1)
Stoich.:	AB2C19D24 (1)
Weight, g/mol:	386.04907
ΔH_f, kcal/mol:	-8.27
Dipole, Da:	2.0
IP(EA), eV:	-8.75(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromophenyl)-N-(1H-1,2,4-triazol-5-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N[C@H](CN(C)C)C2=CC=CC=C2

DOS

IR

Vibrations