Geometry & MOs

Info

ID:	243824
PubChem CID:	99239874
Reduced:	BrFO3N4H16C19 (1)
Stoich.:	ABC3D4E16F19 (1)
Weight, g/mol:	421.1001
ΔH_f, kcal/mol:	-57.12
Dipole, Da:	8.9
IP(EA), eV:	-8.58(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-5-cyclopropyl-N-[(1R)-1-(3-methoxy-4-propoxyphenyl)ethyl]-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CO1)C(=O)NC2=C(C=CC(=C2)NC(=O)C3=NNC(=C3Br)C4CC4)F

DOS

IR

Vibrations