Geometry & MOs

Info

ID:	243781
PubChem CID:	99239565
Reduced:	N3O5C25H29 (1)
Stoich.:	A3B5C25D29 (1)
Weight, g/mol:	401.231456
ΔH_f, kcal/mol:	-124.11
Dipole, Da:	5.82
IP(EA), eV:	-8.98(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl-[(4-methylphenyl)methyl]amino]acetate

Drug info:

PubChemData

Smile

CCOC(=O)CN(CC1=CC=C(C=C1)C)C(=O)CCCC2=NC(=NO2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations