Geometry & MOs

Info

ID:	333583
PubChem CID:	127252135
Reduced:	N7C18H19 (1)
Stoich.:	A7B18C19 (1)
Weight, g/mol:	333.170194
ΔH_f, kcal/mol:	113.18
Dipole, Da:	3.45
IP(EA), eV:	-8.66(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-methylpyridin-2-yl)-4-(1-pyrimidin-2-ylpyrrolidin-3-yl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)NC2=NC=CC(=N2)C3CCN(C3)C4=NC=CC=N4

DOS

IR

Vibrations