Geometry & MOs

Info

ID:	305911
PubChem CID:	124974072
Reduced:	ON5C24H27 (1)
Stoich.:	AB5C24D27 (1)
Weight, g/mol:	275.120467
ΔH_f, kcal/mol:	23.51
Dipole, Da:	7.51
IP(EA), eV:	-8.57(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[6-methyl-2-[(3S)-pyrrolidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC2=CC(=NC(=C2)C)[C@@H]3CCCN(C3)C(=O)C4=NC=C(N=C4)C

DOS

IR

Vibrations