Geometry & MOs

Info

ID:	418716
PubChem CID:	135106637
Reduced:	O2N5C21H29 (1)
Stoich.:	A2B5C21D29 (1)
Weight, g/mol:	327.133139
ΔH_f, kcal/mol:	-48.65
Dipole, Da:	5.29
IP(EA), eV:	-9.17(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-4-oxo-1H-quinoline-6-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=C(N1)CN(CCO)C(=O)C(C)N2C3=CC=CC=C3N=C2CC(C)C

DOS

IR

Vibrations