Geometry & MOs

Info

ID:	371982
PubChem CID:	131283838
Reduced:	ClN3C9H10 (1)
Stoich.:	AB3C9D10 (1)
Weight, g/mol:	299.97212
ΔH_f, kcal/mol:	76.78
Dipole, Da:	2.71
IP(EA), eV:	-8.97(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(bromomethyl)-5-methoxy-4-(trifluoromethoxy)pyridin-3-amine

Drug info:

PubChemData

Smile

CC(C)C1=NC(=C(C(=N1)Cl)N)C#C

DOS

IR

Vibrations