Geometry & MOs

Info

ID:	401719
PubChem CID:	135052267
Reduced:	ClN2H15C16 (1)
Stoich.:	AB2C15D16 (1)
Weight, g/mol:	374.09938
ΔH_f, kcal/mol:	130.58
Dipole, Da:	18.08
IP(EA), eV:	-7.14(-2.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-bromo-5-methylpyridin-2-yl)amino]-4,4-dimethyl-1-phenylpentan-3-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=NC=C[NH2+]3.[Cl-]

DOS

IR

Vibrations