Geometry & MOs

Info

ID:	361240
PubChem CID:	127302404
Reduced:	O2N4C21H22 (1)
Stoich.:	A2B4C21D22 (1)
Weight, g/mol:	381.18009
ΔH_f, kcal/mol:	8.54
Dipole, Da:	9.92
IP(EA), eV:	-9.17(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carbonyl]-1-methylcinnolin-4-one

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=O)C(=N1)C(=O)N3CCCCCC3C4=CC=NC=C4

DOS

IR

Vibrations