Geometry & MOs

Info

ID:	297865
PubChem CID:	117634949
Reduced:	N6O7C24H34 (1)
Stoich.:	A6B7C24D34 (1)
Weight, g/mol:	293.162708
ΔH_f, kcal/mol:	-233.6
Dipole, Da:	5.21
IP(EA), eV:	-8.92(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(2R)-2-(4-hydroxyphenyl)-2-propan-2-yloxyethyl]amino]pent-4-enoic acid

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C1=NC(=CO1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)C2=C(C(=CC=C2)OC)OC

DOS

IR

Vibrations