Geometry & MOs

Info

ID:	323825
PubChem CID:	126676270
Reduced:	NO2C11H14 (2)
Stoich.:	AB2C11D14 (2)
Weight, g/mol:	556.13352
ΔH_f, kcal/mol:	-150.73
Dipole, Da:	2.17
IP(EA), eV:	-9.18(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[(3S,4S)-4-[(3-ethyl-4-methylphenyl)methoxy]pyrrolidin-3-yl]-5-(4-iodophenyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCCCC(C)C(=O)C1=CN(C(=O)C(=C1)C(=O)NC)CC2=CC(=CC=C2)OC

DOS

IR

Vibrations