Geometry & MOs

Info

ID:	206143
PubChem CID:	80211653
Reduced:	FON2C17H29 (1)
Stoich.:	ABC2D17E29 (1)
Weight, g/mol:	310.171499
ΔH_f, kcal/mol:	-100.3
Dipole, Da:	5.58
IP(EA), eV:	-8.78(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[cyclopentyl(2-methylpropyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CCCCN(CCC(C1=CC(=C(C=C1)C)F)NC)CCO

DOS

IR

Vibrations