Geometry & MOs

Info

ID:	143294
PubChem CID:	53181600
Reduced:	ClO2N4C19H23 (1)
Stoich.:	AB2C4D19E23 (1)
Weight, g/mol:	411.230411
ΔH_f, kcal/mol:	-69.06
Dipole, Da:	5.67
IP(EA), eV:	-8.6(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)imidazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(N=C(N1C2CCN(CC2)C(=O)C)C)C(=O)NC3=CC=C(C=C3)Cl

DOS

IR

Vibrations