Geometry & MOs

Info

ID:	49676
PubChem CID:	11533521
Reduced:	O3N4H30C31 (1)
Stoich.:	A3B4C30D31 (1)
Weight, g/mol:	506.423614
ΔH_f, kcal/mol:	0.33
Dipole, Da:	2.77
IP(EA), eV:	-8.83(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-methylbutyl)piperidin-4-yl]-4-pentyl-N-[(4-pent-1-ynylphenyl)methyl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

C1C/C(=N\NC(=O)[C@H]2[C@H]3C[C@@](N=C2N4CCOCC4)(OC5=CC=CC=C35)C6=CC=CC=C6)/C7=CC=CC=C71

DOS

IR

Vibrations