Geometry & MOs

Info

ID:	421938
PubChem CID:	135116873
Reduced:	ClN2O2C18H25 (1)
Stoich.:	AB2C2D18E25 (1)
Weight, g/mol:	290.156518
ΔH_f, kcal/mol:	-91.93
Dipole, Da:	3.1
IP(EA), eV:	-9.05(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-methyl-5-propylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)Cl)C(=O)N2CC[C@]3(CCCN([C@@H]3C2)C)CO

DOS

IR

Vibrations