Geometry & MOs

Info

ID:	127430
PubChem CID:	51002165
Reduced:	NO4C25H33 (1)
Stoich.:	AB4C25D33 (1)
Weight, g/mol:	398.220557
ΔH_f, kcal/mol:	-151.15
Dipole, Da:	3.98
IP(EA), eV:	-8.79(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[4-[[4-(dimethylamino)phenyl]methoxy]-2-methylphenyl]morpholin-4-yl]propanoic acid

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)COC2=CC(=C(C=C2)C3CN(CCO3)CCC(=O)O)C

DOS

IR

Vibrations