Geometry & MOs

Info

ID:	370257
PubChem CID:	127337924
Reduced:	ON5C23H31 (1)
Stoich.:	AB5C23D31 (1)
Weight, g/mol:	331.237211
ΔH_f, kcal/mol:	0.75
Dipole, Da:	6.76
IP(EA), eV:	-8.46(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)N3CCCC3CCC4=CC=CC=C4

DOS

IR

Vibrations