Geometry & MOs

Info

ID:	83211
PubChem CID:	49857287
Reduced:	N2C9H9 (2)
Stoich.:	A2B9C9 (2)
Weight, g/mol:	308.143725
ΔH_f, kcal/mol:	91.3
Dipole, Da:	1.7
IP(EA), eV:	-8.41(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[(2-fluoroanilino)methyl]phenyl]methyl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NCC2=CC=C(C=C2)CNC3=NC=CC=N3

DOS

IR

Vibrations