Geometry & MOs

Info

ID:	424597
PubChem CID:	135123264
Reduced:	O3N5C30H41 (1)
Stoich.:	A3B5C30D41 (1)
Weight, g/mol:	468.10486
ΔH_f, kcal/mol:	-53.14
Dipole, Da:	5.77
IP(EA), eV:	-8.59(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7'-bromo-5'-[(E)-3-(dimethylamino)prop-2-enoyl]-1'-[(4-methoxyphenyl)methyl]spiro[cyclobutane-1,3'-indole]-2'-one

Drug info:

PubChemData

Smile

CC[C@H]1CC2=C(CN(C1)CC3=C(C=CC(=C3)[C@H](C(C)(C)C(=O)OC)OCC4=CN(N=N4)CC)C)N=CC=C2

DOS

IR

Vibrations