Geometry & MOs

Info

ID:	332324
PubChem CID:	127250610
Reduced:	O2N5C25H31 (1)
Stoich.:	A2B5C25D31 (1)
Weight, g/mol:	392.20124
ΔH_f, kcal/mol:	-15.8
Dipole, Da:	3.89
IP(EA), eV:	-8.64(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-[6-(3-fluorophenyl)pyridin-2-yl]morpholin-4-yl]methyl]-N,N-dimethylpyridin-2-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations