Geometry & MOs

Info

ID:	359901
PubChem CID:	127299945
Reduced:	BrON5C17H18 (1)
Stoich.:	ABC5D17E18 (1)
Weight, g/mol:	382.13682
ΔH_f, kcal/mol:	51.29
Dipole, Da:	4.53
IP(EA), eV:	-9.24(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1N2C=C(C=N2)Br)CC3=CC(=O)N4C=CC=CC4=N3

DOS

IR

Vibrations