Geometry & MOs

Info

ID:	368029
PubChem CID:	127326625
Reduced:	O2N5C21H25 (1)
Stoich.:	A2B5C21D25 (1)
Weight, g/mol:	365.221561
ΔH_f, kcal/mol:	-23.9
Dipole, Da:	3.2
IP(EA), eV:	-8.81(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclopentyl-N-[4-(4-methylpyrimidin-2-yl)phenyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)C2=CC=C(C=C2)NC(=O)NC3CCN(CC3)C(=O)C4CC4

DOS

IR

Vibrations