Geometry & MOs

Info

ID:	358186
PubChem CID:	127295731
Reduced:	N3O3C22H33 (1)
Stoich.:	A3B3C22D33 (1)
Weight, g/mol:	374.188881
ΔH_f, kcal/mol:	-129.91
Dipole, Da:	4.55
IP(EA), eV:	-8.96(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[2-(4-methylpiperazin-1-yl)pyridin-4-yl]methyl]-3-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]urea

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CCNC(=O)N2CCCN(CC2)C(=O)CC3CCCC3

DOS

IR

Vibrations