Geometry & MOs

Info

ID:	424600
PubChem CID:	135123270
Reduced:	O3N5C30H35 (1)
Stoich.:	A3B5C30D35 (1)
Weight, g/mol:	514.10044
ΔH_f, kcal/mol:	-26.06
Dipole, Da:	3.16
IP(EA), eV:	-8.34(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7'-bromo-1'-[(4-methoxyphenyl)methyl]-5'-(2-phenyl-1,2,4-triazol-3-yl)spiro[cyclobutane-1,3'-indole]-2'-one

Drug info:

PubChemData

Smile

CN1CCC(CC1)OC2=CC(=CC3=C2NC(=O)C34CCC4)C5=CC(=NN5C6=CC=CC=C6)N7CCOCC7

DOS

IR

Vibrations