Geometry & MOs

Info

ID:	368556
PubChem CID:	127329459
Reduced:	O3N4C16H26 (1)
Stoich.:	A3B4C16D26 (1)
Weight, g/mol:	314.174276
ΔH_f, kcal/mol:	-84.62
Dipole, Da:	3.95
IP(EA), eV:	-8.98(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-ethyl-1,4-diazepane-1-carbonyl)-1-methylcinnolin-4-one

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)CN2CCN(CC2)C(=O)CC3CCOCC3

DOS

IR

Vibrations