Geometry & MOs

Info

ID:	365135
PubChem CID:	127316919
Reduced:	O2N6C19H26 (1)
Stoich.:	A2B6C19D26 (1)
Weight, g/mol:	393.162332
ΔH_f, kcal/mol:	0.36
Dipole, Da:	4.94
IP(EA), eV:	-8.63(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=NN=C(C=C1)N2C(=C(C=N2)C(=O)N3CC4CCCN4CC3C)C

DOS

IR

Vibrations