Geometry & MOs

Info

ID:	365098
PubChem CID:	127316840
Reduced:	O2N4C21H28 (1)
Stoich.:	A2B4C21D28 (1)
Weight, g/mol:	263.17461
ΔH_f, kcal/mol:	1.66
Dipole, Da:	5.95
IP(EA), eV:	-9.03(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)C3=CC(=NC4=C3C(=NO4)C(C)C)C5CC5

DOS

IR

Vibrations