Geometry & MOs

Info

ID:	310812
PubChem CID:	126587678
Reduced:	NO2F3C7H10 (1)
Stoich.:	AB2C3D7E10 (1)
Weight, g/mol:	398.220557
ΔH_f, kcal/mol:	-202.28
Dipole, Da:	1.52
IP(EA), eV:	-10.03(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(1,5-dimethyl-6-oxopyridin-3-yl)-2-(methylamino)-3-(oxan-4-ylmethoxy)phenyl]propanal

Drug info:

PubChemData

Smile

CC(=C)C(=O)N(C)OCC(F)(F)F

DOS

IR

Vibrations