Geometry & MOs

Info

ID:	244005
PubChem CID:	99309231
Reduced:	N3O3C21H29 (1)
Stoich.:	A3B3C21D29 (1)
Weight, g/mol:	396.223535
ΔH_f, kcal/mol:	-39.08
Dipole, Da:	5.29
IP(EA), eV:	-8.87(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-2-naphthalen-2-ylsulfanylethanone

Drug info:

PubChemData

Smile

CC1CCN(CC1)C[C@@H]2CCCN(C2)C(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations