Geometry & MOs

Info

ID:	45467
PubChem CID:	10513825
Reduced:	NOC15H23 (1)
Stoich.:	ABC15D23 (1)
Weight, g/mol:	235.084458
ΔH_f, kcal/mol:	-51.37
Dipole, Da:	3.57
IP(EA), eV:	-9.13(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,3S)-2-[(R)-amino(carboxy)methyl]-3-phenylcyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC[C@]2(C[C@@H]1C(=NC2)C(=O)C(C)(C)C)C

DOS

IR

Vibrations