Geometry & MOs

Info

ID:	331747
PubChem CID:	127250031
Reduced:	O3N4C26H30 (1)
Stoich.:	A3B4C26D30 (1)
Weight, g/mol:	428.202382
ΔH_f, kcal/mol:	-46.59
Dipole, Da:	7.33
IP(EA), eV:	-8.79(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[6-[(2,6-difluorophenyl)methyl]pyridin-2-yl]morpholin-4-yl]-3-(5-methyl-3,4-dihydropyrazol-2-yl)propan-1-one

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CC2=NC(=CC=C2)C3CN(CCO3)C(=O)C4=NNC5=C4CCCCC5

DOS

IR

Vibrations