Geometry & MOs

Info

ID:	162620
PubChem CID:	57410773
Reduced:	N2O3H14C18 (1)
Stoich.:	A2B3C14D18 (1)
Weight, g/mol:	519.238273
ΔH_f, kcal/mol:	-11.95
Dipole, Da:	2.81
IP(EA), eV:	-9.4(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,3R)-3-(benzimidazol-1-ylmethyl)-3-hydroxycyclohexyl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)C#CC1=C(C=C(C=C1)C2=NC=C(C(=C2)C(=O)O)O)C#N

DOS

IR

Vibrations