Geometry & MOs

Info

ID:	422415
PubChem CID:	135117797
Reduced:	ClNO2C18H24 (1)
Stoich.:	ABC2D18E24 (1)
Weight, g/mol:	269.12949
ΔH_f, kcal/mol:	-94.5
Dipole, Da:	4.2
IP(EA), eV:	-8.96(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-methyl-4-(3-propoxypiperidin-1-yl)pyrimidine

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)N2CCC[C@]3(C2)CCC[C@H]3OC)Cl

DOS

IR

Vibrations