Geometry & MOs

Info

ID:	258510
PubChem CID:	103154609
Reduced:	ON2C7H11 (2)
Stoich.:	AB2C7D11 (2)
Weight, g/mol:	322.096283
ΔH_f, kcal/mol:	-64.79
Dipole, Da:	4.72
IP(EA), eV:	-8.05(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-methoxy-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]butanamide

Drug info:

PubChemData

Smile

COC(CC(=O)NC1=CN=C(C=C1)N2CCCC2)CN

DOS

IR

Vibrations