Geometry & MOs

Info

ID:	304460
PubChem CID:	124750382
Reduced:	O2N5C17H23 (1)
Stoich.:	A2B5C17D23 (1)
Weight, g/mol:	383.232125
ΔH_f, kcal/mol:	-3.14
Dipole, Da:	3.48
IP(EA), eV:	-8.82(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC1=CC(=NO1)C(=O)N[C@H]2CCCN(C2)C3=NC=CN=C3

DOS

IR

Vibrations