Geometry & MOs

Info

ID:	306283
PubChem CID:	125003547
Reduced:	ClN2O3C24H25 (1)
Stoich.:	AB2C3D24E25 (1)
Weight, g/mol:	282.184447
ΔH_f, kcal/mol:	-69.16
Dipole, Da:	5.3
IP(EA), eV:	-8.68(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-[[(3S)-4-methyl-3-phenylpiperazin-1-yl]methyl]pyrimidine

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CC(=O)N2CCCC[C@@H]2C3=NC=C(O3)CC4=CC=CC=C4Cl

DOS

IR

Vibrations