Geometry & MOs

Info

ID:	391489
PubChem CID:	135005777
Reduced:	O2H20C21 (1)
Stoich.:	A2B20C21 (1)
Weight, g/mol:	297.172879
ΔH_f, kcal/mol:	-28.89
Dipole, Da:	3.52
IP(EA), eV:	-9.42(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(S)-(4-methoxyanilino)-phenylmethyl]pentanal

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=CC(=C2CC(C3=CC=CC=C3)O)CO

DOS

IR

Vibrations