Geometry & MOs

Info

ID:	423436
PubChem CID:	135119498
Reduced:	N4O5C13H20 (1)
Stoich.:	A4B5C13D20 (1)
Weight, g/mol:	374.184172
ΔH_f, kcal/mol:	-153.91
Dipole, Da:	6.69
IP(EA), eV:	-10.12(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,4-diethoxyphenyl)-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CNC(=O)C1=NOC(=N1)CNC(=O)[C@@H]2CC[C@@H]([C@@H](C2)OC)O

DOS

IR

Vibrations