Geometry & MOs

Info

ID:	347669
PubChem CID:	127272535
Reduced:	N3O3C19H35 (1)
Stoich.:	A3B3C19D35 (1)
Weight, g/mol:	173.123821
ΔH_f, kcal/mol:	-158.36
Dipole, Da:	1.01
IP(EA), eV:	-8.66(1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methylsulfanylethyl)azepane

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC(=O)NCC2(CCCCC2)N3CCOCC3

DOS

IR

Vibrations