Geometry & MOs

Info

ID:	331480
PubChem CID:	127248887
Reduced:	FOSN5C21H24 (1)
Stoich.:	ABCD5E21F24 (1)
Weight, g/mol:	413.16856
ΔH_f, kcal/mol:	5.82
Dipole, Da:	1.14
IP(EA), eV:	-8.77(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-fluorophenyl)-N,N-dimethyl-4-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=NC=C(S1)CN2CCOC(C2)C3=NC(=NC=C3C4=CC=C(C=C4)F)N(C)C

DOS

IR

Vibrations