Geometry & MOs

Info

ID:	359904
PubChem CID:	127299948
Reduced:	BrON4C18H29 (1)
Stoich.:	ABC4D18E29 (1)
Weight, g/mol:	394.13682
ΔH_f, kcal/mol:	-39.09
Dipole, Da:	3.49
IP(EA), eV:	-9.41(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCC(C1C)NC(=O)CN2CCC(CC2)N3C=C(C=N3)Br

DOS

IR

Vibrations