Geometry & MOs

Info

ID:	283164
PubChem CID:	103961938
Reduced:	BrO2N3H12C13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	334.06808
ΔH_f, kcal/mol:	-18.84
Dipole, Da:	5.1
IP(EA), eV:	-8.44(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-5-bromo-1-[(4-tert-butylphenyl)methyl]pyridin-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)CN2C=C(C(=O)C(=C2)Br)N

DOS

IR

Vibrations