Geometry & MOs

Info

ID:	361223
PubChem CID:	127302178
Reduced:	ON2C10H14 (2)
Stoich.:	AB2C10D14 (2)
Weight, g/mol:	397.157246
ΔH_f, kcal/mol:	-47.2
Dipole, Da:	6.51
IP(EA), eV:	-8.37(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]-1-methylcinnolin-4-one

Drug info:

PubChemData

Smile

CC1CC(CN(C1)CC(C)NC(=O)C2=NN(C3=CC=CC=C3C2=O)C)C

DOS

IR

Vibrations