Geometry & MOs

Info

ID:	331167
PubChem CID:	127248574
Reduced:	ClO2N5C22H28 (1)
Stoich.:	AB2C5D22E28 (1)
Weight, g/mol:	431.213281
ΔH_f, kcal/mol:	4.16
Dipole, Da:	2.01
IP(EA), eV:	-8.58(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[2-(3,4-difluorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholine

Drug info:

PubChemData

Smile

CC1=NN(C=C1CN2CCOC(C2)C3=NN(C(=C3)CCOC4=CC(=CC=C4)Cl)C)C

DOS

IR

Vibrations