Geometry & MOs

Info

ID:	369140
PubChem CID:	127331373
Reduced:	O2N3C22H23 (1)
Stoich.:	A2B3C22D23 (1)
Weight, g/mol:	277.11365
ΔH_f, kcal/mol:	-8.97
Dipole, Da:	7.56
IP(EA), eV:	-9.07(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydro-1-benzothiophen-3-yl-(2-methyl-1,4-oxazepan-4-yl)methanone

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2C(=O)C(=N1)C(=O)N3CCC(C3)C4=CC=CC=C4C

DOS

IR

Vibrations