Geometry & MOs

Info

ID:	370765
PubChem CID:	127340545
Reduced:	O3N4C16H26 (1)
Stoich.:	A3B4C16D26 (1)
Weight, g/mol:	368.221226
ΔH_f, kcal/mol:	-145.75
Dipole, Da:	3.91
IP(EA), eV:	-8.9(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-cyclopentyl-1,4-diazepane-1-carbonyl)-1-ethylcinnolin-4-one

Drug info:

PubChemData

Smile

C1CCC(C1)N2CCCN(CC2)C(=O)CN3CCC(=O)NC3=O

DOS

IR

Vibrations