Geometry & MOs

Info

ID:	394881
PubChem CID:	135024022
Reduced:	ON3H27C31 (1)
Stoich.:	AB3C27D31 (1)
Weight, g/mol:	454.171499
ΔH_f, kcal/mol:	75.01
Dipole, Da:	4.79
IP(EA), eV:	-8.62(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methoxyphenyl)-N-quinolin-8-yl-3-thiophen-2-ylbicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C23CCC(C2)C(C3C(=O)NC4=CC=CC5=C4N=CC=C5)C6=CC=C(C=C6)C#N

DOS

IR

Vibrations