Geometry & MOs

Info

ID:	364078
PubChem CID:	127313867
Reduced:	SN3O4C16H27 (1)
Stoich.:	AB3C4D16E27 (1)
Weight, g/mol:	240.183778
ΔH_f, kcal/mol:	-131.18
Dipole, Da:	4.07
IP(EA), eV:	-8.86(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(oxan-4-ylmethyl)-1,4-diazepan-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCN(CC2)CC3CCOCC3

DOS

IR

Vibrations