Geometry & MOs

Info

ID:	370811
PubChem CID:	127340626
Reduced:	ON3C16H29 (1)
Stoich.:	AB3C16D29 (1)
Weight, g/mol:	355.200825
ΔH_f, kcal/mol:	-59.31
Dipole, Da:	4.61
IP(EA), eV:	-8.45(1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(4-cyclopentyl-1,4-diazepan-1-yl)-2-oxoethyl]-1,2,3-benzotriazin-4-one

Drug info:

PubChemData

Smile

CN1CCCC1C(=O)N2CCCN(CC2)C3CCCC3

DOS

IR

Vibrations