Geometry & MOs

Info

ID:	357764
PubChem CID:	127294543
Reduced:	ClFO2N3C16H21 (1)
Stoich.:	ABC2D3E16F21 (1)
Weight, g/mol:	397.157246
ΔH_f, kcal/mol:	-134.28
Dipole, Da:	5.28
IP(EA), eV:	-8.55(-1.11)
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]-7-methyl-1H-1,8-naphthyridin-4-one

Drug info:

PubChemData

Smile

CCN1CCCC(C1)NC(=O)CNC(=O)C2=C(C=CC=C2Cl)F

DOS

IR

Vibrations