Geometry & MOs

Info

ID:	384181
PubChem CID:	134976488
Reduced:	NO6C34H53 (1)
Stoich.:	AB6C34D53 (1)
Weight, g/mol:	245.177964
ΔH_f, kcal/mol:	-313.7
Dipole, Da:	1.36
IP(EA), eV:	-10.21(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5S)-3-methyl-2-(phenylmethoxymethyl)-5-propan-2-yl-2,5-dihydro-1H-pyrrole

Drug info:

PubChemData

Smile

CCC[C@@H]1CC[C@H](C[C@H]1OC(=O)/C=C\2/[C@H]3C=C[C@@H]([C@H]2C(=O)O[C@@H]4C[C@@H](CC[C@H]4CCC)C)N3C(=O)OC(C)(C)C)C

DOS

IR

Vibrations