Geometry & MOs

Info

ID:	275218
PubChem CID:	103814659
Reduced:	ON3C11H17 (1)
Stoich.:	AB3C11D17 (1)
Weight, g/mol:	239.199762
ΔH_f, kcal/mol:	-20.32
Dipole, Da:	5.64
IP(EA), eV:	-9.14(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pentan-1-one

Drug info:

PubChemData

Smile

CCC[C@H](C(=O)N(C)C1=CN=CC=C1)N

DOS

IR

Vibrations