Geometry & MOs

Info

ID:	349216
PubChem CID:	127274942
Reduced:	ClN2O2C12H17 (1)
Stoich.:	AB2C2D12E17 (1)
Weight, g/mol:	279.1293
ΔH_f, kcal/mol:	-76.98
Dipole, Da:	1.99
IP(EA), eV:	-9.05(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methyl-1,4-oxazepan-4-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)C2=CC(=CN2C)Cl

DOS

IR

Vibrations