Geometry & MOs

Info

ID:	29802
PubChem CID:	837432
Reduced:	BrNO2C16H16 (1)
Stoich.:	ABC2D16E16 (1)
Weight, g/mol:	256.121178
ΔH_f, kcal/mol:	-48.1
Dipole, Da:	2.53
IP(EA), eV:	-8.97(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(4-methylphenoxy)-N-pyridin-3-ylpropanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)O[C@@H](C)C(=O)NC2=CC=CC=C2Br

DOS

IR

Vibrations