Geometry & MOs

Info

ID:	243831
PubChem CID:	99239917
Reduced:	BrFO3N4H18C21 (1)
Stoich.:	ABC3D4E18F21 (1)
Weight, g/mol:	430.13682
ΔH_f, kcal/mol:	-52.29
Dipole, Da:	5.38
IP(EA), eV:	-8.26(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-5-cyclopropyl-N-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)C2=NNC(=C2Br)C3CC3)NC(=O)C4=CC(=CC=C4)F

DOS

IR

Vibrations