Geometry & MOs

Info

ID:	422836
PubChem CID:	135118492
Reduced:	O2N4C23H30 (1)
Stoich.:	A2B4C23D30 (1)
Weight, g/mol:	489.215138
ΔH_f, kcal/mol:	-35.06
Dipole, Da:	4.53
IP(EA), eV:	-8.76(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oxolan-2-ylmethyl 4-(3-hydroxyphenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

Drug info:

PubChemData

Smile

CN1CCC(CC1)(CNC2=NC=C(C=C2)C(=O)N3CCOCC3)C4=CC=CC=C4

DOS

IR

Vibrations