Geometry & MOs

Info

ID:	362534
PubChem CID:	127308149
Reduced:	ON2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	273.184112
ΔH_f, kcal/mol:	-41.25
Dipole, Da:	2.1
IP(EA), eV:	-8.76(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dimethylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)N2CCOC(C2)CN3C(=CC(=N3)C)C

DOS

IR

Vibrations