Geometry & MOs

Info

ID:	139626
PubChem CID:	52572239
Reduced:	FN2O3C23H29 (1)
Stoich.:	AB2C3D23E29 (1)
Weight, g/mol:	442.246772
ΔH_f, kcal/mol:	-143.53
Dipole, Da:	4.06
IP(EA), eV:	-8.79(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-(2,3-dimethylphenoxy)propanamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)OCCC(=O)NC[C@H](C2=CC=C(C=C2)F)N3CCOCC3)C

DOS

IR

Vibrations