Geometry & MOs

Info

ID:	368500
PubChem CID:	127329232
Reduced:	OF2N2C16H20 (1)
Stoich.:	AB2C2D16E20 (1)
Weight, g/mol:	357.196489
ΔH_f, kcal/mol:	-120.47
Dipole, Da:	4.67
IP(EA), eV:	-8.93(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone

Drug info:

PubChemData

Smile

CC1CN2CCCCC2CN1C(=O)C3=CC(=C(C=C3)F)F

DOS

IR

Vibrations