Geometry & MOs

Info

ID:	378977
PubChem CID:	134228675
Reduced:	FON5C27H38 (1)
Stoich.:	ABC5D27E38 (1)
Weight, g/mol:	272.082874
ΔH_f, kcal/mol:	-24.1
Dipole, Da:	3.89
IP(EA), eV:	-7.86(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-chloropyrimidin-4-yl)-1-propan-2-ylindazole

Drug info:

PubChemData

Smile

CC1(C[C@@H](C[C@H]2N1CCC2)NC3=NC(=NC=C3F)N/C(=C/C=C(\C=C)/OC4CCCC4)/C=C)C

DOS

IR

Vibrations