Geometry & MOs

Info

ID:	162621
PubChem CID:	57410785
Reduced:	O2N7H29C30 (1)
Stoich.:	A2B7C29D30 (1)
Weight, g/mol:	480.227374
ΔH_f, kcal/mol:	68.05
Dipole, Da:	6.69
IP(EA), eV:	-8.54(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,3R)-3-hydroxy-3-(indazol-1-ylmethyl)cyclohexyl]-3-(2-methylpyridin-4-yl)-1H-indazole-5-carboxamide

Drug info:

PubChemData

Smile

CN1C=C2C=C(C=CC2=N1)C3=NNC4=C3C=C(C=C4)C(=O)N[C@@H]5CCC[C@@](C5)(CN6C=NC7=CC=CC=C76)O

DOS

IR

Vibrations