Geometry & MOs

Info

ID:	172545
PubChem CID:	75524275
Reduced:	BrN2O2C14H19 (1)
Stoich.:	AB2C2D14E19 (1)
Weight, g/mol:	446.90794
ΔH_f, kcal/mol:	-93.8
Dipole, Da:	2.29
IP(EA), eV:	-8.89(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-bromo-3-nitrophenyl)methyl]-5-iodo-6-methylpyridin-2-amine

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)NC2(CCOCC2)C)Br

DOS

IR

Vibrations