Geometry & MOs

Info

ID:	424554
PubChem CID:	135123102
Reduced:	NCl2H13C14 (1)
Stoich.:	AB2C13D14 (1)
Weight, g/mol:	351.134969
ΔH_f, kcal/mol:	10.25
Dipole, Da:	2.71
IP(EA), eV:	-8.49(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[3-(chloromethyl)-4-methylphenyl]-2,2-dimethyl-3-[(1-methyltriazol-4-yl)methoxy]propanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1CC2=CC=CC=C2Cl)Cl)N

DOS

IR

Vibrations