Geometry & MOs

Info

ID:	243997
PubChem CID:	99309163
Reduced:	ClN2O3C23H35 (1)
Stoich.:	AB2C3D23E35 (1)
Weight, g/mol:	414.288243
ΔH_f, kcal/mol:	-142.46
Dipole, Da:	4.18
IP(EA), eV:	-8.72(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)C[C@@H]2CCCN(C2)C(=O)C3=CC(=C(C(=C3)Cl)OC(C)C)OC

DOS

IR

Vibrations