Geometry & MOs

Info

ID:	365079
PubChem CID:	127316821
Reduced:	ON4C13H20 (1)
Stoich.:	AB4C13D20 (1)
Weight, g/mol:	372.161997
ΔH_f, kcal/mol:	-3.47
Dipole, Da:	5.68
IP(EA), eV:	-8.7(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-2-one

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)C3=CN(N=C3)C

DOS

IR

Vibrations