Geometry & MOs

Info

ID:	332478
PubChem CID:	127250764
Reduced:	ClO2N5C21H24 (1)
Stoich.:	AB2C5D21E24 (1)
Weight, g/mol:	415.181981
ΔH_f, kcal/mol:	-3.33
Dipole, Da:	3.17
IP(EA), eV:	-8.84(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[2-(3,4-difluorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(2,6-dimethylpyrimidin-4-yl)morpholine

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C)N2CCOC(C2)C3=NNC(=C3)CCOC4=CC=CC=C4Cl

DOS

IR

Vibrations