Geometry & MOs

Info

ID:	243832
PubChem CID:	99239918
Reduced:	BrON4C21H27 (1)
Stoich.:	ABC4D21E27 (1)
Weight, g/mol:	430.13682
ΔH_f, kcal/mol:	22.38
Dipole, Da:	4.36
IP(EA), eV:	-8.32(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CCCCN1CC2=CC=CC=C2CNC(=O)C3=NNC(=C3Br)C4CC4

DOS

IR

Vibrations