Geometry & MOs

Info

ID:	359588
PubChem CID:	127298862
Reduced:	N2O2C9H11 (2)
Stoich.:	A2B2C9D11 (2)
Weight, g/mol:	359.151288
ΔH_f, kcal/mol:	-94.43
Dipole, Da:	2.95
IP(EA), eV:	-8.94(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N=NN1C2=CC3=C(C=C2)OCCO3)C(=O)NCC4CCCCO4

DOS

IR

Vibrations