Geometry & MOs

Info

ID:	370080
PubChem CID:	127337380
Reduced:	ON6C18H24 (1)
Stoich.:	AB6C18D24 (1)
Weight, g/mol:	381.252861
ΔH_f, kcal/mol:	15.41
Dipole, Da:	3.64
IP(EA), eV:	-8.5(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,2-dimethyl-1-phenylpropyl)-3-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]urea

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)CNC(=O)NC2CCCN(C2)C3=NN=C(C=C3)C

DOS

IR

Vibrations