Geometry & MOs

Info

ID:	56346
PubChem CID:	17425139
Reduced:	FO3N5H18C19 (1)
Stoich.:	AB3C5D18E19 (1)
Weight, g/mol:	275.098
ΔH_f, kcal/mol:	-53.59
Dipole, Da:	5.99
IP(EA), eV:	-8.32(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxy-5-methylphenyl)-3-thiophen-2-ylpropanamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2N=C(N=C3N2C4=CC5=C(C=C4N3)OCCCO5)N)F

DOS

IR

Vibrations