Geometry & MOs

Info

ID:	265476
PubChem CID:	103524236
Reduced:	BrNO3C15H20 (1)
Stoich.:	ABC3D15E20 (1)
Weight, g/mol:	336.01095
ΔH_f, kcal/mol:	-104.87
Dipole, Da:	3.36
IP(EA), eV:	-9.19(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-aminopyridin-2-yl)-(3-bromo-2,4-dimethoxyphenyl)methanone

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)C(=O)C2CCC(CC2)N)OC)Br

DOS

IR

Vibrations