Geometry & MOs

Info

ID:	305982
PubChem CID:	124996620
Reduced:	ON4C20H26 (1)
Stoich.:	AB4C20D26 (1)
Weight, g/mol:	292.099397
ΔH_f, kcal/mol:	3.12
Dipole, Da:	3.68
IP(EA), eV:	-7.84(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methyl-1,3-thiazol-4-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2CCC[C@@]2(C)C3=NC(=CC(=N3)C(=O)N(C)C)C

DOS

IR

Vibrations