Geometry & MOs

Info

ID:	356501
PubChem CID:	127291648
Reduced:	N7C18H21 (1)
Stoich.:	A7B18C21 (1)
Weight, g/mol:	313.201494
ΔH_f, kcal/mol:	142.82
Dipole, Da:	10.77
IP(EA), eV:	-9.47(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine

Drug info:

PubChemData

Smile

CN1C(=NN=C1C2=CC=CC=C2)CN3CCN4C(=NN=C4C5CC5)C3

DOS

IR

Vibrations