Geometry & MOs

Info

ID:	356502
PubChem CID:	127291649
Reduced:	N7C16H23 (1)
Stoich.:	A7B16C23 (1)
Weight, g/mol:	326.146679
ΔH_f, kcal/mol:	98.7
Dipole, Da:	7.88
IP(EA), eV:	-9.44(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopropyl-7-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

Drug info:

PubChemData

Smile

C1CCC2=NN=C(N2CC1)CN3CCN4C(=NN=C4C5CC5)C3

DOS

IR

Vibrations