Geometry & MOs

Info

ID:	417166
PubChem CID:	135091561
Reduced:	N2O3C22H26 (1)
Stoich.:	A2B3C22D26 (1)
Weight, g/mol:	364.189926
ΔH_f, kcal/mol:	-85.84
Dipole, Da:	4.03
IP(EA), eV:	-8.38(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)NC2CCC3=CC=CC=C3C2)N4CCOCC4

DOS

IR

Vibrations