Geometry & MOs

Info

ID:	331203
PubChem CID:	127248610
Reduced:	FO2N4C26H29 (1)
Stoich.:	AB2C4D26E29 (1)
Weight, g/mol:	445.247775
ΔH_f, kcal/mol:	-19.95
Dipole, Da:	3.2
IP(EA), eV:	-8.2(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]-2-[1-methyl-5-(2-phenoxyethyl)pyrazol-3-yl]morpholine

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)CN3CCOC(C3)C4=NN(C(=C4)CCOC5=CC=CC=C5F)C

DOS

IR

Vibrations