Geometry & MOs

Info

ID:	415166
PubChem CID:	135088157
Reduced:	FN5O5C30H36 (1)
Stoich.:	AB5C5D30E36 (1)
Weight, g/mol:	389.149932
ΔH_f, kcal/mol:	-199.51
Dipole, Da:	8.51
IP(EA), eV:	-8.7(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propylamino]-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=NC=CN1CCC(=O)N2CCCC(=O)NCC3=C(C=CC=C3F)OC4=C(C=C(C=C4)C(=O)NCCC2)OC

DOS

IR

Vibrations