Geometry & MOs

Info

ID:	30665
PubChem CID:	841645
Reduced:	O3N5C13H19 (1)
Stoich.:	A3B5C13D19 (1)
Weight, g/mol:	293.148789
ΔH_f, kcal/mol:	-11.84
Dipole, Da:	7.27
IP(EA), eV:	-8.65(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(1,5-dimethyl-4-nitropyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C(=O)N2CCN3CCC[C@H]3C2)[N+](=O)[O-]

DOS

IR

Vibrations