Geometry & MOs

Info

ID:	355266
PubChem CID:	127288198
Reduced:	SO2N4C13H22 (1)
Stoich.:	AB2C4D13E22 (1)
Weight, g/mol:	239.199762
ΔH_f, kcal/mol:	-65.24
Dipole, Da:	4.16
IP(EA), eV:	-9.09(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-ethyl-1,4-diazepan-1-yl)-(1-methylpyrrolidin-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=NN=C(N1C)CNC(=O)CSCC2CCCCO2

DOS

IR

Vibrations