Geometry & MOs

Info

ID:	83212
PubChem CID:	49857288
Reduced:	FN4H17C18 (1)
Stoich.:	AB4C17D18 (1)
Weight, g/mol:	291.148396
ΔH_f, kcal/mol:	46.7
Dipole, Da:	2.4
IP(EA), eV:	-8.59(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations