Geometry & MOs

Info

ID:	323549
PubChem CID:	126675398
Reduced:	NO2C20H23 (1)
Stoich.:	AB2C20D23 (1)
Weight, g/mol:	507.11575
ΔH_f, kcal/mol:	-50.2
Dipole, Da:	6.23
IP(EA), eV:	-9.18(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-2-[[4-(4-acetylphenyl)phenyl]methoxy]cyclopentyl]-2-amino-5-bromopyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)COC3CCC[C@@H]3N

DOS

IR

Vibrations