Geometry & MOs

Info

ID:	204309
PubChem CID:	79945241
Reduced:	ClN4C13H19 (1)
Stoich.:	AB4C13D19 (1)
Weight, g/mol:	280.251464
ΔH_f, kcal/mol:	23.21
Dipole, Da:	3.24
IP(EA), eV:	-8.37(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2CN(CCN2C1)CC3=C(C=CC(=N3)N)Cl

DOS

IR

Vibrations