Geometry & MOs

Info

ID:	138289
PubChem CID:	52340915
Reduced:	NO3C9H12 (2)
Stoich.:	AB3C9D12 (2)
Weight, g/mol:	391.183324
ΔH_f, kcal/mol:	-252.71
Dipole, Da:	5.69
IP(EA), eV:	-9.42(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(2R)-3-(4-acetamidophenoxy)-2-hydroxypropyl]-cyclopropyl-[(2,4-difluorophenyl)methyl]azanium

Drug info:

PubChemData

Smile

CC(C)[C@@]1(C(=O)N(C(=O)N1)C[C@@H](COC2=CC=C(C=C2)C(=O)OC)O)C

DOS

IR

Vibrations