Geometry & MOs

Info

ID:	331796
PubChem CID:	127250080
Reduced:	F3N3O3H22C23 (1)
Stoich.:	A3B3C3D22E23 (1)
Weight, g/mol:	433.247775
ΔH_f, kcal/mol:	-175.42
Dipole, Da:	4.91
IP(EA), eV:	-9.63(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[6-[(2-methylphenyl)methyl]pyridin-2-yl]morpholin-4-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide

Drug info:

PubChemData

Smile

CCC1=NOC(=C1)C(=O)N2CCOC(C2)C3=CC=CC(=N3)CC4=CC=CC=C4C(F)(F)F

DOS

IR

Vibrations