Geometry & MOs

Info

ID:	319011
PubChem CID:	126654118
Reduced:	NOC10H19 (1)
Stoich.:	ABC10D19 (1)
Weight, g/mol:	406.171499
ΔH_f, kcal/mol:	-32.56
Dipole, Da:	3.23
IP(EA), eV:	-9.55(1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[2-(4H-thieno[2,3-d]azepin-7-yl)-4H-chromen-6-yl]propyl]morpholine

Drug info:

PubChemData

Smile

CCOCCCN=CC/C=C\C

DOS

IR

Vibrations