Geometry & MOs

Info

ID:	333131
PubChem CID:	127251679
Reduced:	O2N5C25H35 (1)
Stoich.:	A2B5C25D35 (1)
Weight, g/mol:	449.222703
ΔH_f, kcal/mol:	-58.09
Dipole, Da:	3.95
IP(EA), eV:	-8.55(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-fluorophenyl)methyl-methylamino]-1-[2-[6-methyl-4-(pyridin-2-ylamino)pyridin-2-yl]morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

CCN1CCC(CC1)CC(=O)N2CCOC(C2)C3=NC(=CC(=C3)NC4=CC=CC(=N4)C)C

DOS

IR

Vibrations