Geometry & MOs

Info

ID:	306428
PubChem CID:	125011670
Reduced:	ClON3C18H22 (1)
Stoich.:	ABC3D18E22 (1)
Weight, g/mol:	243.148396
ΔH_f, kcal/mol:	-29.4
Dipole, Da:	4.02
IP(EA), eV:	-9.06(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]pyrimidine

Drug info:

PubChemData

Smile

CC1=CN=C(N1)[C@H]2CCCN(C2)C(=O)CCC3=CC=C(C=C3)Cl

DOS

IR

Vibrations