Geometry & MOs

Info

ID:	436801
PubChem CID:	135211614
Reduced:	ON3C7H9 (1)
Stoich.:	AB3C7D9 (1)
Weight, g/mol:	337.171165
ΔH_f, kcal/mol:	4.78
Dipole, Da:	3.53
IP(EA), eV:	-8.3(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[benzyl-[(trimethyl-lambda4-sulfanyl)methyl]amino]methoxy]-3,4-dihydro-2H-oxepin-7-one

Drug info:

PubChemData

Smile

C1CC2=C(C=C1)N(C(=O)N2)N

DOS

IR

Vibrations