Geometry & MOs

Info

ID:	331170
PubChem CID:	127248577
Reduced:	FO3N5C22H26 (1)
Stoich.:	AB3C5D22E26 (1)
Weight, g/mol:	445.192546
ΔH_f, kcal/mol:	-73.01
Dipole, Da:	5.48
IP(EA), eV:	-9.07(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN(C=C1C(=O)N2CCOC(C2)C3=NN(C(=C3)CCOC4=CC=C(C=C4)F)C)C

DOS

IR

Vibrations