Geometry & MOs

Info

ID:	331280
PubChem CID:	127248687
Reduced:	ON6C22H28 (1)
Stoich.:	AB6C22D28 (1)
Weight, g/mol:	440.179459
ΔH_f, kcal/mol:	61.28
Dipole, Da:	3.92
IP(EA), eV:	-8.72(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[2-(dimethylamino)-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]methanone

Drug info:

PubChemData

Smile

CN1C(=CC=N1)CN2CCC(C2)C3=NC(=NC=C3C4=CC=C(C=C4)OC)N(C)C

DOS

IR

Vibrations