Geometry & MOs

Info

ID:	370177
PubChem CID:	127337632
Reduced:	O2N7C15H21 (1)
Stoich.:	A2B7C15D21 (1)
Weight, g/mol:	360.173231
ΔH_f, kcal/mol:	24.05
Dipole, Da:	6.82
IP(EA), eV:	-8.71(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(1-pyridazin-3-ylpiperidin-3-yl)urea

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CNC(=O)N(C)C2CCCN(C2)C3=NN=CC=C3

DOS

IR

Vibrations