Geometry & MOs

Info

ID:	365162
PubChem CID:	127316966
Reduced:	ON4C21H28 (1)
Stoich.:	AB4C21D28 (1)
Weight, g/mol:	334.190595
ΔH_f, kcal/mol:	-5.72
Dipole, Da:	4.91
IP(EA), eV:	-8.7(0.21)
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)-1-phenylpyrazolo[3,4-d]pyrimidine

Drug info:

PubChemData

Smile

CC1(CCCN(C1)C2=CC(=NC=N2)N3CCCC3CO)C4=CC=CC=C4

DOS

IR

Vibrations