Geometry & MOs

Info

ID:	310587
PubChem CID:	126582916
Reduced:	SO2N3C14H15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	202.204513
ΔH_f, kcal/mol:	36.03
Dipole, Da:	9.48
IP(EA), eV:	-8.85(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(3-ethoxypropyl)-N,N'-dimethylbutane-1,4-diamine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SC2=C(C=CC(=N2)N(C)C)[N+](=O)[O-]

DOS

IR

Vibrations