Geometry & MOs

Info

ID:	121006
PubChem CID:	50753072
Reduced:	O3N5C26H27 (1)
Stoich.:	A3B5C26D27 (1)
Weight, g/mol:	386.06299
ΔH_f, kcal/mol:	-5.74
Dipole, Da:	2.71
IP(EA), eV:	-8.4(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-bromophenyl)-3,7,7-trimethyl-2,4,6,8-tetrahydro-[1,2]oxazolo[5,4-b]quinolin-5-one

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)CCC2=C(N(C3=NC(=NN3C2=O)C4=CC=CC=C4)CC=C)C

DOS

IR

Vibrations