Geometry & MOs

Info

ID:	210670
PubChem CID:	80837846
Reduced:	SO2N4C14H26 (1)
Stoich.:	AB2C4D14E26 (1)
Weight, g/mol:	289.226646
ΔH_f, kcal/mol:	-87.13
Dipole, Da:	6.75
IP(EA), eV:	-8.85(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC1=C(C(=NC=N1)NCC(C)(C)S(=O)(=O)C)CC

DOS

IR

Vibrations