Geometry & MOs

Info

ID:	83356
PubChem CID:	49857489
Reduced:	N5C22H25 (1)
Stoich.:	A5B22C25 (1)
Weight, g/mol:	359.210996
ΔH_f, kcal/mol:	86.12
Dipole, Da:	0.62
IP(EA), eV:	-8.23(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[(3-pyrrolidin-1-ylanilino)methyl]phenyl]methyl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

C1CCN(C1)C2=CC=CC=C2NCC3=CC=C(C=C3)CNC4=NC=CC=N4

DOS

IR

Vibrations