Geometry & MOs

Info

ID:	362331
PubChem CID:	127307369
Reduced:	N3O3C14H27 (1)
Stoich.:	A3B3C14D27 (1)
Weight, g/mol:	353.224932
ΔH_f, kcal/mol:	-147.98
Dipole, Da:	5.33
IP(EA), eV:	-9.05(1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3-[(1,4-dimethylpiperazin-2-yl)methyl]urea

Drug info:

PubChemData

Smile

CCC1CN(CC(O1)C)C(=O)NCC2CN(CCO2)C

DOS

IR

Vibrations