Geometry & MOs

Info

ID:	134513
PubChem CID:	51708657
Reduced:	N2O5C25H36 (1)
Stoich.:	A2B5C25D36 (1)
Weight, g/mol:	437.267842
ΔH_f, kcal/mol:	-230.97
Dipole, Da:	9.91
IP(EA), eV:	-9.51(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide

Drug info:

PubChemData

Smile

C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)C2=CC=C(C=C2)OCC(=O)N3[C@@H](CCC[C@@H]3C)C

DOS

IR

Vibrations