Geometry & MOs

Info

ID:	333534
PubChem CID:	127252086
Reduced:	N5C20H21 (1)
Stoich.:	A5B20C21 (1)
Weight, g/mol:	332.174945
ΔH_f, kcal/mol:	97.96
Dipole, Da:	2.24
IP(EA), eV:	-8.92(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-benzylpyrrolidin-3-yl)-N-pyrimidin-2-ylpyrimidin-2-amine

Drug info:

PubChemData

Smile

C1CN(CC1C2=NC(=NC=C2)NC3=CC=CC=N3)CC4=CC=CC=C4

DOS

IR

Vibrations