Geometry & MOs

Info

ID:	332136
PubChem CID:	127250422
Reduced:	ON6C22H28 (1)
Stoich.:	AB6C22D28 (1)
Weight, g/mol:	392.20124
ΔH_f, kcal/mol:	47.42
Dipole, Da:	2.81
IP(EA), eV:	-8.63(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-[5-(2-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=NC=C(C=C3)C4=CN=CN=C4

DOS

IR

Vibrations