Geometry & MOs

Info

ID:	194323
PubChem CID:	78516409
Reduced:	NO4H19C23 (1)
Stoich.:	AB4C19D23 (1)
Weight, g/mol:	359.115758
ΔH_f, kcal/mol:	-73.93
Dipole, Da:	4.58
IP(EA), eV:	-8.69(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[3-(6-methoxynaphthalen-2-yl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CCOC1=C(C2=CC=CC=C2C=C1)C=CC(=O)C3=CC4=C(C=C3)OCC(=O)N4

DOS

IR

Vibrations