Geometry & MOs

Info

ID:	305956
PubChem CID:	124975983
Reduced:	ON2C9H9 (2)
Stoich.:	AB2C9D9 (2)
Weight, g/mol:	305.11757
ΔH_f, kcal/mol:	-6.61
Dipole, Da:	2.71
IP(EA), eV:	-8.84(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-fluoro-4-methoxyphenyl)-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

C1CO[C@H](CN1C(=O)C2=CC3=CC=CC=C3N2)C4=NC(=CC=C4)N

DOS

IR

Vibrations