Geometry & MOs

Info

ID:	359903
PubChem CID:	127299947
Reduced:	BrON4C18H29 (1)
Stoich.:	ABC4D18E29 (1)
Weight, g/mol:	396.15247
ΔH_f, kcal/mol:	-38.09
Dipole, Da:	2.02
IP(EA), eV:	-9.16(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-bromopyrazol-1-yl)piperidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC(=O)C(C)N2CCC(CC2)N3C=C(C=N3)Br

DOS

IR

Vibrations