Geometry & MOs

Info

ID:	332561
PubChem CID:	127250847
Reduced:	ClO3N5C22H24 (1)
Stoich.:	AB3C5D22E24 (1)
Weight, g/mol:	443.176896
ΔH_f, kcal/mol:	-40.96
Dipole, Da:	3.35
IP(EA), eV:	-9.09(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-[2-(3,4-difluorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1C(=O)N2CCOC(C2)C3=NNC(=C3)CCOC4=CC=CC=C4Cl)C

DOS

IR

Vibrations