Geometry & MOs

Info

ID:	369592
PubChem CID:	127334838
Reduced:	O2N5C17H27 (1)
Stoich.:	A2B5C17D27 (1)
Weight, g/mol:	366.205576
ΔH_f, kcal/mol:	-3.73
Dipole, Da:	6.76
IP(EA), eV:	-8.66(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-(2,3-dihydro-1H-inden-1-yl)methanone

Drug info:

PubChemData

Smile

CN1CCCC1C(=O)N2CCCN(CC2)CC3=NOC(=N3)C4CC4

DOS

IR

Vibrations