Geometry & MOs

Info

ID:	415777
PubChem CID:	135088778
Reduced:	O4N7C30H35 (1)
Stoich.:	A4B7C30D35 (1)
Weight, g/mol:	402.181567
ΔH_f, kcal/mol:	-96.6
Dipole, Da:	4.15
IP(EA), eV:	-8.5(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(dimethylamino)-N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@@H](C(=O)NCCCN(CCCC(=O)N1)C(=O)CN2C3=CC=CC=C3C=N2)CC4=CNC5=CC=CC=C54

DOS

IR

Vibrations