Geometry & MOs

Info

ID:	295666
PubChem CID:	117541839
Reduced:	BrN2O3H13C14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	323.95681
ΔH_f, kcal/mol:	-64.16
Dipole, Da:	3.28
IP(EA), eV:	-9.08(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C(=O)N(C2=C(O1)C=CC(=N2)Br)CC3=CC=CO3)C

DOS

IR

Vibrations