Geometry & MOs

Info

ID:	356512
PubChem CID:	127291659
Reduced:	O2N6C21H28 (1)
Stoich.:	A2B6C21D28 (1)
Weight, g/mol:	294.140451
ΔH_f, kcal/mol:	12.82
Dipole, Da:	10.17
IP(EA), eV:	-8.4(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2O)N3CCN4C(=NN=C4C5CC5)C3

DOS

IR

Vibrations