Geometry & MOs

Info

ID:	369383
PubChem CID:	127332933
Reduced:	O3N4C17H26 (1)
Stoich.:	A3B4C17D26 (1)
Weight, g/mol:	357.18009
ΔH_f, kcal/mol:	-56.67
Dipole, Da:	3.74
IP(EA), eV:	-9.14(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-1-carbonyl]-6-methyl-1H-pyridin-2-one

Drug info:

PubChemData

Smile

C1CC(OC1)CC(=O)N2CCCN(CC2)CC3=NOC(=N3)C4CC4

DOS

IR

Vibrations