Geometry & MOs

Info

ID:	85752
PubChem CID:	49878780
Reduced:	O2N4C19H22 (1)
Stoich.:	A2B4C19D22 (1)
Weight, g/mol:	373.142641
ΔH_f, kcal/mol:	-12.68
Dipole, Da:	7.39
IP(EA), eV:	-8.85(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-methylphenyl)methyl]-3-oxo-N-pyridin-2-yl-1,4-benzoxazine-6-carboxamide

Drug info:

PubChemData

Smile

COCCNC(=O)NCCN1C2=CC=CC=C2N=C1C3=CC=CC=C3

DOS

IR

Vibrations