Geometry & MOs

Info

ID:	234412
PubChem CID:	92298382
Reduced:	NOC19H27 (1)
Stoich.:	ABC19D27 (1)
Weight, g/mol:	305.177964
ΔH_f, kcal/mol:	-63.06
Dipole, Da:	3.39
IP(EA), eV:	-9.39(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[(3R)-3-methylpiperidin-1-yl]-2,3-diphenylprop-2-en-1-one

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@H]1NC(=O)C2(CCCC2)C3=CC=CC=C3

DOS

IR

Vibrations