Geometry & MOs

Info

ID:	261908
PubChem CID:	103258441
Reduced:	NO4C8H15 (1)
Stoich.:	AB4C8D15 (1)
Weight, g/mol:	249.136493
ΔH_f, kcal/mol:	-187.13
Dipole, Da:	4.21
IP(EA), eV:	-9.71(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-4-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-2-methylbut-2-enoic acid

Drug info:

PubChemData

Smile

C1COCC1NCC(CC(=O)O)O

DOS

IR

Vibrations