Geometry & MOs

Info

ID:	188778
PubChem CID:	77763993
Reduced:	N3O5C25H39 (1)
Stoich.:	A3B5C25D39 (1)
Weight, g/mol:	451.247107
ΔH_f, kcal/mol:	-242.37
Dipole, Da:	7.64
IP(EA), eV:	-9.22(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[5-[1-amino-2-[4-(aminomethyl)phenyl]-2-oxoethyl]-2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]acetate

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)N1CCCC1C(=O)O)NC(=O)OCC2=CC=CC=C2.C1CCC(CC1)N

DOS

IR

Vibrations