Geometry & MOs

Info

ID:	332443
PubChem CID:	127250729
Reduced:	ClO2N3C20H28 (1)
Stoich.:	AB2C3D20E28 (1)
Weight, g/mol:	385.236542
ΔH_f, kcal/mol:	-47.81
Dipole, Da:	2.29
IP(EA), eV:	-8.51(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[2-[5-[2-(4-propan-2-ylphenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(C)(C)CN1CCOC(C1)C2=NNC(=C2)CCOC3=CC=CC=C3Cl

DOS

IR

Vibrations