Geometry & MOs

Info

ID:	349442
PubChem CID:	127275229
Reduced:	O3N4C22H28 (1)
Stoich.:	A3B4C22D28 (1)
Weight, g/mol:	385.200156
ΔH_f, kcal/mol:	-62.09
Dipole, Da:	7.52
IP(EA), eV:	-8.7(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1CCC(C1)N2C(=CC=N2)NC(=O)CN3CCCC3C4=C5C(=CC=C4)OCCO5

DOS

IR

Vibrations