Geometry & MOs

Info

ID:	270736
PubChem CID:	103637869
Reduced:	ClON2C12H19 (1)
Stoich.:	ABC2D12E19 (1)
Weight, g/mol:	300.16602
ΔH_f, kcal/mol:	1.51
Dipole, Da:	1.83
IP(EA), eV:	-8.85(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-cyclopropyl-N'-ethyl-N-[(5-phenylthiophen-2-yl)methyl]ethane-1,2-diamine

Drug info:

PubChemData

Smile

CCN(CCNCC1=CC=C(O1)Cl)C2CC2

DOS

IR

Vibrations