Geometry & MOs

Info

ID:	305482
PubChem CID:	124956102
Reduced:	O2N5C18H25 (1)
Stoich.:	A2B5C18D25 (1)
Weight, g/mol:	367.157915
ΔH_f, kcal/mol:	-32.8
Dipole, Da:	2.49
IP(EA), eV:	-9.16(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-dimethyl-N-[6-methyl-2-[(3S)-1-pyrazin-2-ylpyrrolidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)C)C2=NC=C(N=C2)C[C@@H]3CCCN(C3)C(=O)COC

DOS

IR

Vibrations