Geometry & MOs

Info

ID:	323807
PubChem CID:	126676220
Reduced:	N3O3C20H23 (1)
Stoich.:	A3B3C20D23 (1)
Weight, g/mol:	410.176106
ΔH_f, kcal/mol:	-79.88
Dipole, Da:	2.92
IP(EA), eV:	-9.48(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-(2,4-ditert-butyl-5-hydroxyphenyl)quinoline-3-carboxamide

Drug info:

PubChemData

Smile

CCC(C1=CC=CC=C1)N2C=C(C=C(C2=O)C(=O)NC)C(=O)NC3CC3

DOS

IR

Vibrations