Geometry & MOs

Info

ID:	66375
PubChem CID:	46504469
Reduced:	N3O7C22H29 (1)
Stoich.:	A3B7C22D29 (1)
Weight, g/mol:	380.148455
ΔH_f, kcal/mol:	-206.76
Dipole, Da:	4.87
IP(EA), eV:	-9.02(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)-5-nitrofuran-2-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)C(C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C(=O)NC4CCCC4

DOS

IR

Vibrations