Geometry & MOs

Info

ID:	331120
PubChem CID:	127248527
Reduced:	N3O3C22H33 (1)
Stoich.:	A3B3C22D33 (1)
Weight, g/mol:	393.186398
ΔH_f, kcal/mol:	-85.23
Dipole, Da:	1.88
IP(EA), eV:	-8.49(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-[2-(3,4-difluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholin-4-yl]-2-methylpropan-1-one

Drug info:

PubChemData

Smile

CC(C)(C)CN1CCOC(C1)C2=NN(C(=C2)CCOC3=CC=CC(=C3)OC)C

DOS

IR

Vibrations