Geometry & MOs

Info

ID:	421423
PubChem CID:	135115961
Reduced:	O3N4C20H24 (1)
Stoich.:	A3B4C20D24 (1)
Weight, g/mol:	327.1293
ΔH_f, kcal/mol:	-64.07
Dipole, Da:	2.81
IP(EA), eV:	-8.1(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzothiophen-3-yl-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)NC(=O)C2=C(N=CC=C2)N3C[C@@H]4CCN[C@@H]4C3)OC

DOS

IR

Vibrations