Geometry & MOs

Info

ID:	424732
PubChem CID:	135123729
Reduced:	BrNO2H5C7 (2)
Stoich.:	ABC2D5E7 (2)
Weight, g/mol:	479.220892
ΔH_f, kcal/mol:	13.36
Dipole, Da:	2.22
IP(EA), eV:	-8.24(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7'-methoxy-1'-[(4-methoxyphenyl)methyl]-5'-(2-phenylpyrazol-3-yl)spiro[cyclopentane-1,3'-indole]-2'-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N(C3=CC(=C(C=C3[N+]2=O)OCBr)OCBr)[O-]

DOS

IR

Vibrations