Geometry & MOs

Info

ID:	244669
PubChem CID:	99376321
Reduced:	N3O3C22H33 (1)
Stoich.:	A3B3C22D33 (1)
Weight, g/mol:	366.207406
ΔH_f, kcal/mol:	-151.16
Dipole, Da:	4.7
IP(EA), eV:	-9.15(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R)-1-[(5S,7R)-3-chloroadamantane-1-carbonyl]piperidin-3-yl]butanamide

Drug info:

PubChemData

Smile

CCCC(=O)N[C@@H]1CCCN(C1)C(=O)[C@H]([C@@H](C)CC)NC(=O)C2=CC=CC=C2

DOS

IR

Vibrations