Geometry & MOs

Info

ID:	370311
PubChem CID:	127338009
Reduced:	ClON5C19H24 (1)
Stoich.:	ABC5D19E24 (1)
Weight, g/mol:	359.177982
ΔH_f, kcal/mol:	6.41
Dipole, Da:	3.19
IP(EA), eV:	-8.62(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-1-(thiophen-2-ylmethyl)urea

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)N(C)CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations