Geometry & MOs

Info

ID:	245319
PubChem CID:	99443291
Reduced:	BrClO2N3H19C20 (1)
Stoich.:	ABC2D3E19F20 (1)
Weight, g/mol:	447.03492
ΔH_f, kcal/mol:	-10.39
Dipole, Da:	2.85
IP(EA), eV:	-9.08(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1C2=CC(=CC=C2)Cl)C(=O)N[C@@H](C)C3=CC(=C(C=C3)OC)Br

DOS

IR

Vibrations