Geometry & MOs

Info

ID:	351173
PubChem CID:	127279731
Reduced:	ClNO2C14H18 (1)
Stoich.:	ABC2D14E18 (1)
Weight, g/mol:	281.108565
ΔH_f, kcal/mol:	-87.36
Dipole, Da:	3.13
IP(EA), eV:	-9.38(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-(2-methyl-1,4-oxazepan-4-yl)methanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations