Geometry & MOs

Info

ID:	246467
PubChem CID:	103059749
Reduced:	OSN2C13H26 (1)
Stoich.:	ABC2D13E26 (1)
Weight, g/mol:	244.160935
ΔH_f, kcal/mol:	-58.67
Dipole, Da:	2.53
IP(EA), eV:	-8.49(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-3-(1,4-thiazepan-4-ylmethyl)oxan-4-amine

Drug info:

PubChemData

Smile

CCNC1CCOCC1CN2CCCSCC2

DOS

IR

Vibrations