Geometry & MOs

Info

ID:	232724
PubChem CID:	87576817
Reduced:	O2N3C25H27 (1)
Stoich.:	A2B3C25D27 (1)
Weight, g/mol:	365.210327
ΔH_f, kcal/mol:	-18.49
Dipole, Da:	4.51
IP(EA), eV:	-9.28(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopenta[f]indazol-5-yl-2-hydroxy-2-pentan-2-ylcyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CCCCN1C(=O)/C(=C(\C)/C2=CC=CC=C2C#N)/NC(=O)C1(C)CC3=CC=CC=C3

DOS

IR

Vibrations