Geometry & MOs

Info

ID:	358659
PubChem CID:	127296441
Reduced:	O2N4C23H30 (1)
Stoich.:	A2B4C23D30 (1)
Weight, g/mol:	378.241962
ΔH_f, kcal/mol:	-34.38
Dipole, Da:	4.75
IP(EA), eV:	-8.8(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-phenylcyclohexyl)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2(CCCC2)C(=O)N3CCC(CC3)NC4=NN=CC=C4)OC

DOS

IR

Vibrations