Geometry & MOs

Info

ID:	365100
PubChem CID:	127316842
Reduced:	O3N4C20H24 (1)
Stoich.:	A3B4C20D24 (1)
Weight, g/mol:	379.161995
ΔH_f, kcal/mol:	-92.97
Dipole, Da:	6.66
IP(EA), eV:	-8.63(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanone

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)CNC(=O)C3=CNC4=CC=CC=C4C3=O

DOS

IR

Vibrations