Geometry & MOs

Info

ID:	44235
PubChem CID:	10502116
Reduced:	N2O5H22C24 (1)
Stoich.:	A2B5C22D24 (1)
Weight, g/mol:	418.175579
ΔH_f, kcal/mol:	-129.28
Dipole, Da:	6.08
IP(EA), eV:	-8.32(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4R,5S)-1-phenylmethoxy-4-(trifluoromethyl)non-2-yn-5-yl] benzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(OC(=O)C(=C1)NC(=O)C2=CC=CC=C2)/C=C/NCC3=CC=CC=C3

DOS

IR

Vibrations