Geometry & MOs

Info

ID:	424505
PubChem CID:	135122948
Reduced:	BrINOH9C11 (1)
Stoich.:	ABCDE9F11 (1)
Weight, g/mol:	625.275213
ΔH_f, kcal/mol:	6.97
Dipole, Da:	1.28
IP(EA), eV:	-9.17(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5'-[5-amino-2-(2,4-difluorophenoxy)phenyl]-1'-[(4-methoxyphenyl)methyl]-7'-(1-methylpiperidin-4-yl)oxyspiro[cyclobutane-1,3'-indole]-2'-one

Drug info:

PubChemData

Smile

C1CC2(C1)C3=C(C(=CC(=C3)Br)I)NC2=O

DOS

IR

Vibrations