Geometry & MOs

Info

ID:	333549
PubChem CID:	127252101
Reduced:	ClON6H17C19 (1)
Stoich.:	ABC6D17E19 (1)
Weight, g/mol:	346.190595
ΔH_f, kcal/mol:	67.64
Dipole, Da:	5.18
IP(EA), eV:	-9.42(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(2-phenylethyl)pyrrolidin-3-yl]-N-pyrazin-2-ylpyrimidin-2-amine

Drug info:

PubChemData

Smile

C1CN(CC1C2=NC(=NC=C2)NC3=NC=CN=C3)C(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations