Geometry & MOs

Info

ID:	333582
PubChem CID:	127252134
Reduced:	N7C17H17 (1)
Stoich.:	A7B17C17 (1)
Weight, g/mol:	333.170194
ΔH_f, kcal/mol:	118.97
Dipole, Da:	1.89
IP(EA), eV:	-8.94(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylpyridin-2-yl)-4-(1-pyrimidin-2-ylpyrrolidin-3-yl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

C1CN(CC1C2=NC(=NC=C2)NC3=CC=CC=N3)C4=NC=CC=N4

DOS

IR

Vibrations