Geometry & MOs

Info

ID:	145671
PubChem CID:	53569448
Reduced:	O3N5C18H19 (1)
Stoich.:	A3B5C18D19 (1)
Weight, g/mol:	311.138225
ΔH_f, kcal/mol:	-54.44
Dipole, Da:	6.31
IP(EA), eV:	-10.08(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-3-(furan-3-yl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CN1C(=C(C(=O)N(C1=O)C)C#N)N2CCNC(=O)CC2C3=CC=CC=C3

DOS

IR

Vibrations