Geometry & MOs

Info

ID:	417163
PubChem CID:	135091556
Reduced:	O2N3C19H23 (1)
Stoich.:	A2B3C19D23 (1)
Weight, g/mol:	335.220892
ΔH_f, kcal/mol:	-24.13
Dipole, Da:	3.31
IP(EA), eV:	-9.43(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclohexylmethyl)-2-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1CC1NCC(=O)N[C@@H]2COC[C@H]2CC3=CC=NC4=CC=CC=C34

DOS

IR

Vibrations