Geometry & MOs

Info

ID:	83357
PubChem CID:	49857490
Reduced:	N5C22H25 (1)
Stoich.:	A5B22C25 (1)
Weight, g/mol:	359.210996
ΔH_f, kcal/mol:	83.85
Dipole, Da:	3.04
IP(EA), eV:	-7.84(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C1)C2=CC=CC(=C2)NCC3=CC=C(C=C3)CNC4=NC=CC=N4

DOS

IR

Vibrations