Geometry & MOs

Info

ID:	365088
PubChem CID:	127316830
Reduced:	ON6C20H28 (1)
Stoich.:	AB6C20D28 (1)
Weight, g/mol:	393.112316
ΔH_f, kcal/mol:	44.03
Dipole, Da:	3.18
IP(EA), eV:	-8.92(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2,6-dichlorophenyl)-5-methyl-1,2,4-triazol-3-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)C(C(C)C)N3N=C(N=N3)C4=CC=CC=C4

DOS

IR

Vibrations