Geometry & MOs

Info

ID:	154541
PubChem CID:	56313998
Reduced:	FO3N4H25C26 (1)
Stoich.:	AB3C4D25E26 (1)
Weight, g/mol:	370.200491
ΔH_f, kcal/mol:	-69.39
Dipole, Da:	4.41
IP(EA), eV:	-8.92(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]methyl]phenyl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)NC2=CC=CC(=C2)CNC(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations