Geometry & MOs

Info

ID:	370270
PubChem CID:	127337937
Reduced:	ON5C18H29 (1)
Stoich.:	AB5C18D29 (1)
Weight, g/mol:	361.247775
ΔH_f, kcal/mol:	-31.28
Dipole, Da:	2.64
IP(EA), eV:	-8.54(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCCN1C(=O)NC2CCCN(C2)C3=NN=C(C=C3)C

DOS

IR

Vibrations