Geometry & MOs

Info

ID:	336185
PubChem CID:	127255192
Reduced:	BrFN3O4C21H21 (1)
Stoich.:	ABC3D4E21F21 (1)
Weight, g/mol:	374.174276
ΔH_f, kcal/mol:	-166.15
Dipole, Da:	9.9
IP(EA), eV:	-9.24(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-methoxyphenyl)-N-[2-(1-methylindol-3-yl)ethyl]-1H-pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1CCC2=CN=CN2)C(CC(=O)OC)C3=C(C=C(C=C3)Br)F)O

DOS

IR

Vibrations