Geometry & MOs

Info

ID:	360173
PubChem CID:	127300789
Reduced:	ON5C23H27 (1)
Stoich.:	AB5C23D27 (1)
Weight, g/mol:	364.226312
ΔH_f, kcal/mol:	19.81
Dipole, Da:	5.35
IP(EA), eV:	-8.39(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyclohexylphenyl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)N4CCC(CC4)NC5=NN=CC=C5

DOS

IR

Vibrations