Geometry & MOs

Info

ID:	332337
PubChem CID:	127250623
Reduced:	FO2N4C25H27 (1)
Stoich.:	AB2C4D25E27 (1)
Weight, g/mol:	402.205576
ΔH_f, kcal/mol:	-67.45
Dipole, Da:	4.05
IP(EA), eV:	-8.9(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[6-(6-aminopyridin-3-yl)pyridin-2-yl]morpholin-4-yl]-2-(3,4-dimethylphenyl)ethanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CCCC(=O)N2CCOC(C2)C3=CC=CC(=N3)C4=CN=C(C=C4)N)F

DOS

IR

Vibrations