Geometry & MOs

Info

ID:	79509
PubChem CID:	49786944
Reduced:	NO4C22H23 (1)
Stoich.:	AB4C22D23 (1)
Weight, g/mol:	352.182064
ΔH_f, kcal/mol:	-115.83
Dipole, Da:	3.21
IP(EA), eV:	-8.7(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-(2-methylpropyl)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C2=COC3=C2C=CC=C3C(=O)NC4CCCCC4)O

DOS

IR

Vibrations