Geometry & MOs

Info

ID:	446986
PubChem CID:	135279313
Reduced:	NOC20H33 (1)
Stoich.:	ABC20D33 (1)
Weight, g/mol:	375.232205
ΔH_f, kcal/mol:	-53.9
Dipole, Da:	2.78
IP(EA), eV:	-8.71(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-fluoro-3-[4-[5-methyl-1-(oxan-2-yl)indazol-6-yl]piperidin-1-yl]propan-2-ol

Drug info:

PubChemData

Smile

CC(C)(C)CC1=CC=C(C=C1)OC2CC(C2)NCC(C)(C)C

DOS

IR

Vibrations