Geometry & MOs

Info

ID:	369382
PubChem CID:	127332932
Reduced:	O3N5C18H25 (1)
Stoich.:	A3B5C18D25 (1)
Weight, g/mol:	334.200491
ΔH_f, kcal/mol:	-0.2
Dipole, Da:	5.17
IP(EA), eV:	-8.91(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-2-(oxolan-2-yl)ethanone

Drug info:

PubChemData

Smile

CCC1=NOC(=C1C(=O)N2CCCN(CC2)CC3=NOC(=N3)C4CC4)C

DOS

IR

Vibrations