Geometry & MOs

Info

ID:	332323
PubChem CID:	127250609
Reduced:	FON4C24H29 (1)
Stoich.:	ABC4D24E29 (1)
Weight, g/mol:	433.247775
ΔH_f, kcal/mol:	-21.49
Dipole, Da:	3.2
IP(EA), eV:	-8.61(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-[4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]morpholin-2-yl]pyridin-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C(C)C)C)CN2CCOC(C2)C3=CC=CC(=N3)C4=CC(=CC=C4)F

DOS

IR

Vibrations