Geometry & MOs

Info

ID:	183954
PubChem CID:	77092959
Reduced:	ON3C16H25 (1)
Stoich.:	AB3C16D25 (1)
Weight, g/mol:	375.20591
ΔH_f, kcal/mol:	-11.02
Dipole, Da:	3.1
IP(EA), eV:	-8.65(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-6-[1-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CCOC1=NC=C(C=C1)CN2CC(C2)N3CCCCC3

DOS

IR

Vibrations