Geometry & MOs

Info

ID:	287771
PubChem CID:	104294220
Reduced:	NOSCl2H9C12 (1)
Stoich.:	ABCD2E9F12 (1)
Weight, g/mol:	229.110279
ΔH_f, kcal/mol:	7.71
Dipole, Da:	4.47
IP(EA), eV:	-8.72(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-amino-5-methylphenyl)-(2,5-dimethylfuran-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N)C(=O)C2=C(SC(=C2)Cl)Cl

DOS

IR

Vibrations