Geometry & MOs

Info

ID:	365119
PubChem CID:	127316861
Reduced:	FSO2N3C19H26 (1)
Stoich.:	ABC2D3E19F26 (1)
Weight, g/mol:	397.152573
ΔH_f, kcal/mol:	-124.21
Dipole, Da:	7.15
IP(EA), eV:	-8.86(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-fluorophenyl)-5-(trifluoromethyl)triazol-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)C(C)SCC(=O)NC3=CC=C(C=C3)F

DOS

IR

Vibrations