Geometry & MOs

Info

ID:	418358
PubChem CID:	135104306
Reduced:	NO4C16H18 (2)
Stoich.:	AB4C16D18 (2)
Weight, g/mol:	380.184841
ΔH_f, kcal/mol:	-172.97
Dipole, Da:	4.54
IP(EA), eV:	-8.22(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=CC=C1)OCC(=O)N2CCOCCOC3=CC=C(C=C3)C4C5=CC(=C(C=C5CCN4C(=O)C2)OC)OC

DOS

IR

Vibrations