Geometry & MOs

Info

ID:	295670
PubChem CID:	117541921
Reduced:	BrN2O2C15H15 (1)
Stoich.:	AB2C2D15E15 (1)
Weight, g/mol:	261.057198
ΔH_f, kcal/mol:	-13.74
Dipole, Da:	5.9
IP(EA), eV:	-8.48(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-amino-4-(thiophen-2-ylmethyl)pyrido[3,2-b][1,4]oxazin-3-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2CCOC3=C2N=CC(=C3)Br

DOS

IR

Vibrations