Geometry & MOs

Info

ID:	351100
PubChem CID:	127279658
Reduced:	ClO2N3C21H24 (1)
Stoich.:	AB2C3D21E24 (1)
Weight, g/mol:	265.11365
ΔH_f, kcal/mol:	-54.19
Dipole, Da:	3.52
IP(EA), eV:	-9.41(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=CN=C1C(C2=CC=C(C=C2)Cl)NC(=O)C3CC4CCCC(C3)C4=O

DOS

IR

Vibrations