Geometry & MOs

Info

ID:	364464
PubChem CID:	127315716
Reduced:	O2N3C13H23 (1)
Stoich.:	A2B3C13D23 (1)
Weight, g/mol:	230.145285
ΔH_f, kcal/mol:	-89.2
Dipole, Da:	4.7
IP(EA), eV:	-8.84(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4,7-dimethyl-1,4-diazepan-1-yl)-2-methylsulfanylpropan-1-one

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)C2CC(=O)N(C2)C)C

DOS

IR

Vibrations