Geometry & MOs

Info

ID:	188556
PubChem CID:	77732871
Reduced:	Cl3N3O3C29H30 (1)
Stoich.:	A3B3C3D29E30 (1)
Weight, g/mol:	474.345758
ΔH_f, kcal/mol:	-92.88
Dipole, Da:	8.89
IP(EA), eV:	-9.12(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 5-(1-acetamido-3-ethylpentyl)-1-benzyl-4-(1-hydroxypropyl)pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CCCCN1C=C(N=C1C(CC2=CC=C(C=C2)OC3=CC=CC=C3C(=O)OC)N)C4=C(C=C(C=C4)Cl)Cl.Cl

DOS

IR

Vibrations