Geometry & MOs

Info

ID:	438701
PubChem CID:	135228452
Reduced:	NO4H25C26 (1)
Stoich.:	AB4C25D26 (1)
Weight, g/mol:	381.02258
ΔH_f, kcal/mol:	-109.66
Dipole, Da:	3.89
IP(EA), eV:	-9.15(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-3-(3-iodo-5-methyl-4-phenoxyphenyl)propanal

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C=C1C(=O)OCC2=CC=CC=C2)O)C(=O)N3CC4=CC=CC=C4C3

DOS

IR

Vibrations