Geometry & MOs

Info

ID:	123405
PubChem CID:	50845902
Reduced:	O3N5C23H35 (1)
Stoich.:	A3B5C23D35 (1)
Weight, g/mol:	437.279075
ΔH_f, kcal/mol:	-146.37
Dipole, Da:	7.51
IP(EA), eV:	-8.12(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[3-(4-cyclohexylpiperazine-1-carbonyl)phenyl]-3-methylpyrazol-4-yl]-2-methylpropanamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C1CCN(CC1)C(=O)NC2=CC=C(C=C2)NC(=O)NC3CCCC3

DOS

IR

Vibrations