Geometry & MOs

Info

ID:	365091
PubChem CID:	127316833
Reduced:	ON4C16H20 (1)
Stoich.:	AB4C16D20 (1)
Weight, g/mol:	359.151288
ΔH_f, kcal/mol:	6.11
Dipole, Da:	3.93
IP(EA), eV:	-8.72(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3-chlorophenyl)-5-methyltriazol-4-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)C3=CNC4=C3C=CC=N4

DOS

IR

Vibrations