Geometry & MOs

Info

ID:	422112
PubChem CID:	135117224
Reduced:	ClN7O8C34H46 (1)
Stoich.:	AB7C8D34E46 (1)
Weight, g/mol:	353.210327
ΔH_f, kcal/mol:	-271.56
Dipole, Da:	5.45
IP(EA), eV:	-9.49(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methylphenyl)methyl]-2-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)NCCCC[C@@H](C(=O)N1)NC(=O)CCC3=CC(=NO3)Cl)CC4=CC=CC=C4)[C@@H](C)O

DOS

IR

Vibrations