Geometry & MOs

Info

ID:	204277
PubChem CID:	79940310
Reduced:	ClN3C14H20 (1)
Stoich.:	AB3C14D20 (1)
Weight, g/mol:	233.164046
ΔH_f, kcal/mol:	10.81
Dipole, Da:	2.48
IP(EA), eV:	-8.35(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyrimidin-5-amine

Drug info:

PubChemData

Smile

C1CC2CN(CCN2C1)CC3=C(C=CC(=C3)Cl)N

DOS

IR

Vibrations