Geometry & MOs

Info

ID:	197530
PubChem CID:	78974701
Reduced:	OSN2H14C17 (1)
Stoich.:	ABC2D14E17 (1)
Weight, g/mol:	266.18167
ΔH_f, kcal/mol:	40.1
Dipole, Da:	6.7
IP(EA), eV:	-8.78(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-cyclopropyl-1-N-(3-methylbutyl)-1-thiophen-3-ylpropane-1,2-diamine

Drug info:

PubChemData

Smile

CN(C1=CC=CC(=C1)C#N)C(=O)C2CC3=CC=CC=C3S2

DOS

IR

Vibrations