Geometry & MOs

Info

ID:	370232
PubChem CID:	127337899
Reduced:	O3N6C16H24 (1)
Stoich.:	A3B6C16D24 (1)
Weight, g/mol:	345.252861
ΔH_f, kcal/mol:	-89.54
Dipole, Da:	7.67
IP(EA), eV:	-8.57(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)N3CCOC(C3)C(=O)N

DOS

IR

Vibrations