Geometry & MOs

Info

ID:	206389
PubChem CID:	80242914
Reduced:	OSN2C12H20 (1)
Stoich.:	ABC2D12E20 (1)
Weight, g/mol:	260.13472
ΔH_f, kcal/mol:	-33.53
Dipole, Da:	2.96
IP(EA), eV:	-8.9(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-[(3-methylthiophen-2-yl)methyl]-3-phenylpropane-1,2-diamine

Drug info:

PubChemData

Smile

CC1=C(SC=C1)CNCC2CCC(O2)CN

DOS

IR

Vibrations