Geometry & MOs

Info

ID:	437235
PubChem CID:	135216474
Reduced:	N2O3C29H34 (1)
Stoich.:	A2B3C29D34 (1)
Weight, g/mol:	476.258754
ΔH_f, kcal/mol:	-83.63
Dipole, Da:	5.69
IP(EA), eV:	-8.78(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4,4-dimethylpiperidin-1-yl)-5-[5-[2-(4-fluorophenyl)ethoxy]-4-methylpyrimidin-2-yl]-2-methylpyridin-3-yl]acetaldehyde

Drug info:

PubChemData

Smile

CC1=NC=C(C(=C1CC(=O)O)N2CCC(CC2)(C)C)C3=CC=C(C=C3)OCCC4=CC=CC=C4

DOS

IR

Vibrations