Geometry & MOs

Info

ID:	15884
PubChem CID:	454420
Reduced:	O2N3C19H23 (1)
Stoich.:	A2B3C19D23 (1)
Weight, g/mol:	325.179027
ΔH_f, kcal/mol:	-43.54
Dipole, Da:	5.38
IP(EA), eV:	-8.75(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4,7-dimethyl-1,3-benzoxazol-2-yl)methyl-methylamino]-5-ethyl-6-methyl-1H-pyridin-2-one

Drug info:

PubChemData

Smile

CCC1=C(NC(=O)C(=C1)N(C)CC2=NC3=C(C=CC(=C3O2)C)C)C

DOS

IR

Vibrations