Geometry & MOs

Info

ID:	343514
PubChem CID:	127266687
Reduced:	ON5C19H31 (1)
Stoich.:	AB5C19D31 (1)
Weight, g/mol:	335.105211
ΔH_f, kcal/mol:	-11.15
Dipole, Da:	3.36
IP(EA), eV:	-9.0(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(5-carbamoyl-4-methyl-1,3-thiazol-2-yl)methylamino]-4-methylpyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)N1CCC(C1)N(C)C)NC2=NC(=NC=C2)C3CC3

DOS

IR

Vibrations