Geometry & MOs

Info

ID:	333581
PubChem CID:	127252133
Reduced:	ON6C18H22 (1)
Stoich.:	AB6C18D22 (1)
Weight, g/mol:	319.154544
ΔH_f, kcal/mol:	34.59
Dipole, Da:	4.7
IP(EA), eV:	-9.31(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)C(=O)N2CCC(C2)C3=NC(=NC=C3)NC4=NC=CC=N4

DOS

IR

Vibrations