Geometry & MOs

Info

ID:	228197
PubChem CID:	87563645
Reduced:	BrNO3H12C13 (1)
Stoich.:	ABC3D12E13 (1)
Weight, g/mol:	307.03202
ΔH_f, kcal/mol:	-95.21
Dipole, Da:	5.54
IP(EA), eV:	-9.68(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-2-N-[(4-methoxyphenyl)methyl]pyridine-2,3-diamine

Drug info:

PubChemData

Smile

CCC(C(=O)CBr)N1C(=O)C2=CC=CC=C2C1=O

DOS

IR

Vibrations