Geometry & MOs

Info

ID:	359894
PubChem CID:	127299938
Reduced:	BrON6C16H23 (1)
Stoich.:	ABC6D16E23 (1)
Weight, g/mol:	382.13682
ΔH_f, kcal/mol:	24.82
Dipole, Da:	4.29
IP(EA), eV:	-8.54(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-bromopyrazol-1-yl)piperidin-1-yl]-N-(2-methylcyclohexyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)NC(=O)CN2CCC(CC2)N3C=C(C=N3)Br

DOS

IR

Vibrations