Geometry & MOs

Info

ID:	351155
PubChem CID:	127279713
Reduced:	O3N4C20H30 (1)
Stoich.:	A3B4C20D30 (1)
Weight, g/mol:	279.1293
ΔH_f, kcal/mol:	-103.14
Dipole, Da:	0.7
IP(EA), eV:	-8.4(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)N1CCOCC1)NC(=O)C(C2=CC=CC=C2)N3CCN(CC3)C

DOS

IR

Vibrations