Geometry & MOs

Info

ID:	368693
PubChem CID:	127329830
Reduced:	SO2N6C15H26 (1)
Stoich.:	AB2C6D15E26 (1)
Weight, g/mol:	393.219846
ΔH_f, kcal/mol:	-41.33
Dipole, Da:	8.51
IP(EA), eV:	-8.86(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1CCOC(C1)CN2CCN(CC2)C(=O)NC3=NN=CS3

DOS

IR

Vibrations