Geometry & MOs

Info

ID:	377509
PubChem CID:	134223566
Reduced:	NC11H21 (1)
Stoich.:	AB11C21 (1)
Weight, g/mol:	265.186421
ΔH_f, kcal/mol:	-10.08
Dipole, Da:	1.67
IP(EA), eV:	-8.32(1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-methyl-2-[[(2E,4E)-5-methylhepta-2,4-dien-3-yl]amino]cyclopent-3-en-1-yl]ethanethiol

Drug info:

PubChemData

Smile

CCCC/C(=C\C(=C)NC)/CC

DOS

IR

Vibrations