Geometry & MOs

Info

ID:	170598
PubChem CID:	75258302
Reduced:	N2O4C21H24 (1)
Stoich.:	A2B4C21D24 (1)
Weight, g/mol:	332.163711
ΔH_f, kcal/mol:	-131.22
Dipole, Da:	4.54
IP(EA), eV:	-9.1(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-5-methylidene-2-[4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]pyrimidin-4-one

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2CCCN(C2)C(=O)C3=CC(=CC=C3)NCC(=O)O

DOS

IR

Vibrations