Geometry & MOs

Info

ID:	145770
PubChem CID:	53590750
Reduced:	NC4H7 (3)
Stoich.:	AB4C7 (3)
Weight, g/mol:	316.156912
ΔH_f, kcal/mol:	28.29
Dipole, Da:	1.66
IP(EA), eV:	-9.05(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-3-[[4-(3-methylsulfonylpropyl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=CN(N=C1)C(C)C(C)NCC(=C)C

DOS

IR

Vibrations