Geometry & MOs

Info

ID:	370292
PubChem CID:	127337963
Reduced:	OSN5C18H25 (1)
Stoich.:	ABC5D18E25 (1)
Weight, g/mol:	353.221561
ΔH_f, kcal/mol:	9.98
Dipole, Da:	5.4
IP(EA), eV:	-8.54(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-1-[(4-methylphenyl)methyl]-3-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(SC=C1)CN(C)C(=O)NC2CCCN(C2)C3=NN=C(C=C3)C

DOS

IR

Vibrations