Geometry & MOs

Info

ID:	178931
PubChem CID:	76402899
Reduced:	O2N5C19H29 (1)
Stoich.:	A2B5C19D29 (1)
Weight, g/mol:	310.179361
ΔH_f, kcal/mol:	-41.27
Dipole, Da:	4.22
IP(EA), eV:	-8.78(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]-6-methyl-3H-quinolin-2-one

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(NN2)C(=O)NCC(C3=CN=CC=C3)N4CCOCC4

DOS

IR

Vibrations