Geometry & MOs

Info

ID:	356493
PubChem CID:	127291640
Reduced:	O2N5C19H23 (1)
Stoich.:	A2B5C19D23 (1)
Weight, g/mol:	192.137497
ΔH_f, kcal/mol:	8.99
Dipole, Da:	2.78
IP(EA), eV:	-8.86(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopropyl-7-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

Drug info:

PubChemData

Smile

C1CC1C2=NN=C3N2CCN(C3)CC(=O)NCC4CC5=CC=CC=C5O4

DOS

IR

Vibrations