Geometry & MOs

Info

ID:	244004
PubChem CID:	99309227
Reduced:	SN3O4C27H37 (1)
Stoich.:	AB3C4D27E37 (1)
Weight, g/mol:	371.220892
ΔH_f, kcal/mol:	-131.03
Dipole, Da:	5.89
IP(EA), eV:	-8.68(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-(3-nitrophenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1CCN(CC1)C[C@@H]2CCCN(C2)C(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C4=CC=CC=C4OC

DOS

IR

Vibrations