Geometry & MOs

Info

ID:	359905
PubChem CID:	127299949
Reduced:	BrON4C18H27 (1)
Stoich.:	ABC4D18E27 (1)
Weight, g/mol:	368.12117
ΔH_f, kcal/mol:	-16.03
Dipole, Da:	1.2
IP(EA), eV:	-9.2(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(=CC1)CCNC(=O)CN2CCC(CC2)N3C=C(C=N3)Br

DOS

IR

Vibrations