Geometry & MOs

Info

ID:	369731
PubChem CID:	127335165
Reduced:	OSN6C17H20 (1)
Stoich.:	ABC6D17E20 (1)
Weight, g/mol:	300.195011
ΔH_f, kcal/mol:	49.63
Dipole, Da:	7.74
IP(EA), eV:	-8.41(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]cyclohex-3-ene-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)CC3=CN4C=CSC4=N3

DOS

IR

Vibrations