Geometry & MOs

Info

ID:	369871
PubChem CID:	127336530
Reduced:	O2N3C23H29 (1)
Stoich.:	A2B3C23D29 (1)
Weight, g/mol:	394.123025
ΔH_f, kcal/mol:	-70.38
Dipole, Da:	8.02
IP(EA), eV:	-9.17(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorothiophen-2-yl)-1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CCN(C(=O)C1)CC2CCN(CC2)C(=O)CCC3=CC=NC4=CC=CC=C34

DOS

IR

Vibrations