Geometry & MOs

Info

ID:	322863
PubChem CID:	126671485
Reduced:	O2N5C19H23 (1)
Stoich.:	A2B5C19D23 (1)
Weight, g/mol:	535.315855
ΔH_f, kcal/mol:	-42.67
Dipole, Da:	2.69
IP(EA), eV:	-8.87(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-tert-butylpyrazol-1-yl)-3-methylbutanoyl]-4-hydroxy-N-[1-[2-methyl-4-(4-methyl-1,3-oxazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CN1CCC(CC1)NC(=O)C2=CC=CC(=C2)C3=CC(=C(N=C3)N)C(=O)N

DOS

IR

Vibrations