Geometry & MOs

Info

ID:	361339
PubChem CID:	127302534
Reduced:	ON5C22H29 (1)
Stoich.:	AB5C22D29 (1)
Weight, g/mol:	371.268511
ΔH_f, kcal/mol:	11.52
Dipole, Da:	1.79
IP(EA), eV:	-8.89(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-1-(3,5-dimethylpiperidin-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)C3=NC(=NC(=C3)C)C4CC4

DOS

IR

Vibrations