Geometry & MOs

Info

ID:	264108
PubChem CID:	103429052
Reduced:	NO4C15H19 (1)
Stoich.:	AB4C15D19 (1)
Weight, g/mol:	303.092915
ΔH_f, kcal/mol:	-167.44
Dipole, Da:	2.07
IP(EA), eV:	-9.56(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,6-dimethyl-2-[(4-methylthiophen-3-yl)methylcarbamoyl]benzoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)C)C(=O)O)C(=O)N2CCCOCC2

DOS

IR

Vibrations