Geometry & MOs

Info

ID:	348870
PubChem CID:	127274518
Reduced:	N2O2C13H18 (1)
Stoich.:	A2B2C13D18 (1)
Weight, g/mol:	277.11365
ΔH_f, kcal/mol:	-66.55
Dipole, Da:	3.98
IP(EA), eV:	-9.26(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)C2=CC=CC(=N2)C

DOS

IR

Vibrations