Geometry & MOs

Info

ID:	299113
PubChem CID:	117671480
Reduced:	O3C19H22 (1)
Stoich.:	A3B19C22 (1)
Weight, g/mol:	339.119461
ΔH_f, kcal/mol:	-107.11
Dipole, Da:	4.99
IP(EA), eV:	-9.45(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(1R)-1-hydroxy-3-[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]propyl]pent-4-ynamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC[C@H]([C@@H](CCC2=CC=CC=C2)O)C(=O)O

DOS

IR

Vibrations