Geometry & MOs

Info

ID:	276474
PubChem CID:	103823602
Reduced:	NC9H12 (2)
Stoich.:	AB9C12 (2)
Weight, g/mol:	323.04334
ΔH_f, kcal/mol:	24.35
Dipole, Da:	2.35
IP(EA), eV:	-8.93(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-N-[(2-bromo-4-fluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine

Drug info:

PubChemData

Smile

CCC1(CCCC1)CNCC2=CN=CC3=CC=CC=C32

DOS

IR

Vibrations