Geometry & MOs

Info

ID:	365283
PubChem CID:	127317638
Reduced:	ON2C9H11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	234.148061
ΔH_f, kcal/mol:	-20.39
Dipole, Da:	6.18
IP(EA), eV:	-8.59(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)C3=NN(C4=CC=CC=C4C3=O)C

DOS

IR

Vibrations