Geometry & MOs

Info

ID:	331899
PubChem CID:	127250185
Reduced:	O2F3N4C23H23 (1)
Stoich.:	A2B3C4D23E23 (1)
Weight, g/mol:	389.221561
ΔH_f, kcal/mol:	-159.56
Dipole, Da:	5.49
IP(EA), eV:	-9.14(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[2-(5-benzylpyridin-2-yl)morpholin-4-yl]methyl]-N,N-dimethylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)C(=O)N2CCOC(C2)C3=NC=C(C=C3)CC4=CC(=CC=C4)C(F)(F)F

DOS

IR

Vibrations