Geometry & MOs

Info

ID:	342638
PubChem CID:	127265798
Reduced:	O2N4H18C19 (1)
Stoich.:	A2B4C18D19 (1)
Weight, g/mol:	286.142976
ΔH_f, kcal/mol:	20.2
Dipole, Da:	3.64
IP(EA), eV:	-9.32(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[6-[2-methoxyethyl(methyl)amino]pyridin-3-yl]ethenyl]-1H-pyrimidin-6-one

Drug info:

PubChemData

Smile

CC(C)C1=NC(=NC=C1C(=O)O)C=CC2=NC=CN2C3=CC=CC=C3

DOS

IR

Vibrations