Geometry & MOs

Info

ID:	163097
PubChem CID:	57639446
Reduced:	O2F3N6C22H25 (1)
Stoich.:	A2B3C6D22E25 (1)
Weight, g/mol:	329.12949
ΔH_f, kcal/mol:	-158.64
Dipole, Da:	2.82
IP(EA), eV:	-8.48(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-chloro-1-[2-[1-(2-methylpropyl)indazol-5-yl]oxyphenyl]methanamine

Drug info:

PubChemData

Smile

C1C[C@H]([C@@H](C1)O)N2C3=NC(=NC=C3N=C2NC4=C(C=C(C=C4F)F)F)NC5CCC(CC5)O

DOS

IR

Vibrations