Geometry & MOs

Info

ID:	370011
PubChem CID:	127337204
Reduced:	SO3N5C15H23 (1)
Stoich.:	AB3C5D15E23 (1)
Weight, g/mol:	353.221561
ΔH_f, kcal/mol:	-98.91
Dipole, Da:	5.88
IP(EA), eV:	-8.65(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)NC3CCS(=O)(=O)C3

DOS

IR

Vibrations