Geometry & MOs

Info

ID:	320308
PubChem CID:	126659442
Reduced:	P2N5O11C26H35 (1)
Stoich.:	A2B5C11D26E35 (1)
Weight, g/mol:	587.01821
ΔH_f, kcal/mol:	-497.72
Dipole, Da:	4.73
IP(EA), eV:	-9.52(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-benzyl-3-propylpyrrolidin-3-yl)-[3,4-bis(iodomethyl)phenyl]methanone

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OC)NP(=O)(OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)/C=C\COP(=O)(N3CC3)N4CC4)O)OC5=CC=CC=C5

DOS

IR

Vibrations