Geometry & MOs

Info

ID:	83355
PubChem CID:	49857486
Reduced:	FN5H16C17 (1)
Stoich.:	AB5C16D17 (1)
Weight, g/mol:	359.210996
ΔH_f, kcal/mol:	51.81
Dipole, Da:	2.69
IP(EA), eV:	-8.9(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[(2-pyrrolidin-1-ylanilino)methyl]phenyl]methyl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations