Geometry & MOs

Info

ID:	369123
PubChem CID:	127331346
Reduced:	O2N3C21H27 (1)
Stoich.:	A2B3C21D27 (1)
Weight, g/mol:	376.189926
ΔH_f, kcal/mol:	-29.51
Dipole, Da:	6.96
IP(EA), eV:	-9.08(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3-(4-phenyl-1,4-diazepane-1-carbonyl)cinnolin-4-one

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2C(=O)C(=N1)C(=O)N(CC3CCCCC3)C4CC4

DOS

IR

Vibrations