Geometry & MOs

Info

ID:	438320
PubChem CID:	135228053
Reduced:	NPC11H16 (1)
Stoich.:	ABC11D16 (1)
Weight, g/mol:	371.04334
ΔH_f, kcal/mol:	30.94
Dipole, Da:	2.78
IP(EA), eV:	-8.85(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-N-[(3-fluoropyridin-2-yl)-phenylmethyl]benzene-1,2-diamine

Drug info:

PubChemData

Smile

CCC1=C(N=CC=C1)C=PC(C)C

DOS

IR

Vibrations