Geometry & MOs

Info

ID:	425991
PubChem CID:	135134501
Reduced:	N3O7C34H39 (1)
Stoich.:	A3B7C34D39 (1)
Weight, g/mol:	416.221226
ΔH_f, kcal/mol:	-264.38
Dipole, Da:	4.22
IP(EA), eV:	-9.02(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-(dimethylamino)ethoxy]-5-(2-phenylpyrazol-3-yl)spiro[1H-indole-3,1'-cyclopentane]-2-one

Drug info:

PubChemData

Smile

C[C@@H]([C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)N(C)C(=O)C(CC4=CC=CC=C4)NC(=O)OC(C)(C)C

DOS

IR

Vibrations