Geometry & MOs

Info

ID:	51245
PubChem CID:	12013887
Reduced:	NO3H11C14 (1)
Stoich.:	AB3C11D14 (1)
Weight, g/mol:	255.089543
ΔH_f, kcal/mol:	-56.22
Dipole, Da:	4.97
IP(EA), eV:	-9.9(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-methylbenzoyl)-3,4-dihydropyrrolo[2,1-c][1,4]oxazin-1-one

Drug info:

PubChemData

Smile

C1COC(=O)C2=CC=C(N21)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations