Geometry & MOs

Info

ID:	244017
PubChem CID:	99309306
Reduced:	N3O5C23H27 (1)
Stoich.:	A3B5C23D27 (1)
Weight, g/mol:	431.278407
ΔH_f, kcal/mol:	-167.5
Dipole, Da:	5.98
IP(EA), eV:	-9.15(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-3-methyl-2-(3-methylbutanoylamino)butanamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CC(=O)N2CCC(CC2)NC(=O)COC3=CC=CC(=C3)C(=O)N

DOS

IR

Vibrations