Geometry & MOs

Info

ID:	69802
PubChem CID:	47205421
Reduced:	ClN2O3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	277.099731
ΔH_f, kcal/mol:	-112.1
Dipole, Da:	1.92
IP(EA), eV:	-9.12(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(pyrimidin-2-ylamino)propanamide

Drug info:

PubChemData

Smile

CC1CN(CCO1)C(=O)C(=O)NC2=CC=C(C=C2)Cl

DOS

IR

Vibrations