Geometry & MOs

Info

ID:	425994
PubChem CID:	135134504
Reduced:	ON2C12H13 (2)
Stoich.:	AB2C12D13 (2)
Weight, g/mol:	442.236876
ΔH_f, kcal/mol:	2.85
Dipole, Da:	5.82
IP(EA), eV:	-8.54(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(2-phenylpyrazol-3-yl)spiro[1H-indole-3,1'-cyclopentane]-2-one

Drug info:

PubChemData

Smile

C1CC2(C1)C3=C(C(=CC(=C3)C(=NC4=CC=CC=C4)/C=C\N)OC5CCNC5)NC2=O

DOS

IR

Vibrations