Geometry & MOs

Info

ID:	417136
PubChem CID:	135091430
Reduced:	N2O3C24H26 (1)
Stoich.:	A2B3C24D26 (1)
Weight, g/mol:	318.169191
ΔH_f, kcal/mol:	-75.36
Dipole, Da:	3.41
IP(EA), eV:	-8.38(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(=O)N2CCC3(CC2)C4=C(CCO3)C5=CC=CC=C5N4

DOS

IR

Vibrations