Geometry & MOs

Info

ID:	129881
PubChem CID:	51074134
Reduced:	ClO2N3C16H18 (1)
Stoich.:	AB2C3D16E18 (1)
Weight, g/mol:	298.142976
ΔH_f, kcal/mol:	-46.93
Dipole, Da:	4.06
IP(EA), eV:	-8.98(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-imidazol-1-ylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

Drug info:

PubChemData

Smile

C1C(COC2=C1C=C(C=C2)Cl)C(=O)NCCCN3C=CN=C3

DOS

IR

Vibrations