Geometry & MOs

Info

ID:	266451
PubChem CID:	103566848
Reduced:	BrNO3H14C16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	290.163043
ΔH_f, kcal/mol:	-39.8
Dipole, Da:	6.86
IP(EA), eV:	-9.17(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-cyano-5-methoxyphenoxy)-N-pentan-3-ylpropanamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)Br)COC2=CC(=CC(=C2)OC)C#N

DOS

IR

Vibrations