Geometry & MOs

Info

ID:	365484
PubChem CID:	127317904
Reduced:	SO2N3C17H27 (1)
Stoich.:	AB2C3D17E27 (1)
Weight, g/mol:	317.221561
ΔH_f, kcal/mol:	-93.29
Dipole, Da:	3.55
IP(EA), eV:	-9.06(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=CSC(=N1)C2CCCN(C2)C(=O)NC(C)C3CCCO3

DOS

IR

Vibrations