Geometry & MOs

Info

ID:	302397
PubChem CID:	124361575
Reduced:	NOC6H9 (4)
Stoich.:	ABC6D9 (4)
Weight, g/mol:	444.273656
ΔH_f, kcal/mol:	-181.68
Dipole, Da:	5.6
IP(EA), eV:	-8.41(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-(4-ethoxyanilino)-3-methyl-1-oxobutan-2-yl]-1-[(2R)-pyrrolidine-2-carbonyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)[C@@H](C(C)C)NC(=O)C2CCN(CC2)C(=O)[C@@H]3CCCN3

DOS

IR

Vibrations