Geometry & MOs

Info

ID:	49633
PubChem CID:	11533419
Reduced:	N2O3C32H40 (1)
Stoich.:	A2B3C32D40 (1)
Weight, g/mol:	500.376664
ΔH_f, kcal/mol:	-110.53
Dipole, Da:	5.56
IP(EA), eV:	-8.53(-0.11)
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]benzamide

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@@H]2[C@@H](C1)O[C@H](NC2(C)C)C3=CC=CC=C3[C@H]4[C@]56CC[C@H](O5)[C@H]([C@@H]6C(=O)N4C7=CC=CC=C7)C

DOS

IR

Vibrations