Geometry & MOs

Info

ID:	363377
PubChem CID:	127310914
Reduced:	SO2N6C18H22 (1)
Stoich.:	AB2C6D18E22 (1)
Weight, g/mol:	343.146681
ΔH_f, kcal/mol:	19.11
Dipole, Da:	7.8
IP(EA), eV:	-8.83(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-cyclopropylpyrimidin-4-yl)-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=NN1CC2CN(CCO2)C(=O)C3=CN=C(S3)C4=CN(N=C4)C)C

DOS

IR

Vibrations