Geometry & MOs

Info

ID:	258496
PubChem CID:	103154489
Reduced:	SF2N2O2C12H16 (1)
Stoich.:	AB2C2D2E12F16 (1)
Weight, g/mol:	296.173607
ΔH_f, kcal/mol:	-174.76
Dipole, Da:	6.96
IP(EA), eV:	-9.15(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methoxybutanamide

Drug info:

PubChemData

Smile

COC(CC(=O)NC1=CC=C(C=C1)SC(F)F)CN

DOS

IR

Vibrations