Geometry & MOs

Info

ID:	171967
PubChem CID:	75447678
Reduced:	FN2O3C16H21 (1)
Stoich.:	AB2C3D16E21 (1)
Weight, g/mol:	268.135782
ΔH_f, kcal/mol:	-155.15
Dipole, Da:	3.45
IP(EA), eV:	-9.0(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-amino-1-methylpyrazol-4-yl)-(2-propan-2-ylthiomorpholin-4-yl)methanone

Drug info:

PubChemData

Smile

CC1CN(CC1N2CCOCC2)C(=O)C3=C(C=C(C=C3)O)F

DOS

IR

Vibrations