Geometry & MOs

Info

ID:	186681
PubChem CID:	77467016
Reduced:	ON2C11H11 (2)
Stoich.:	AB2C11D11 (2)
Weight, g/mol:	509.255753
ΔH_f, kcal/mol:	37.03
Dipole, Da:	5.85
IP(EA), eV:	-9.27(-2.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-[3-cyclopentyl-5-[2-(3-hydroxypyrrolidine-1-carbonyl)-2-azaspiro[3.5]nonan-7-yl]-3,4-dihydropyrazol-2-yl]benzonitrile

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CNC(=O)C2CCCN2)C3=C4C(=C)C=CC=C4C(=O)N=N3

DOS

IR

Vibrations