Geometry & MOs

Info

ID:	171906
PubChem CID:	75439268
Reduced:	SO3N4C15H16 (1)
Stoich.:	AB3C4D15E16 (1)
Weight, g/mol:	288.183778
ΔH_f, kcal/mol:	24.29
Dipole, Da:	2.84
IP(EA), eV:	-9.31(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-cyclopentyloxyphenyl)methyl]-1,4-diazepan-5-one

Drug info:

PubChemData

Smile

C1CN(CCNC1=O)CC2=CSC(=N2)C3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations