Geometry & MOs

Info

ID:	352161
PubChem CID:	127283229
Reduced:	ON4C19H22 (1)
Stoich.:	AB4C19D22 (1)
Weight, g/mol:	379.237211
ΔH_f, kcal/mol:	28.08
Dipole, Da:	3.69
IP(EA), eV:	-9.07(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-2-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1CC1C(=O)NC2CCN(CC2)C3=NC(=NC=C3)C4=CC=CC=C4

DOS

IR

Vibrations