Geometry & MOs

Info

ID:	390411
PubChem CID:	134999041
Reduced:	NO3H25C30 (1)
Stoich.:	AB3C25D30 (1)
Weight, g/mol:	383.199762
ΔH_f, kcal/mol:	26.23
Dipole, Da:	4.98
IP(EA), eV:	-9.03(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3R)-2-benzyl-1-phenyl-3-pyridin-2-ylaziridin-2-yl]-4,4-dimethyl-5H-1,3-oxazole

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@@H]2C3C(N3C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C(=O)O2

DOS

IR

Vibrations