Geometry & MOs

Info

ID:	139334
PubChem CID:	52511767
Reduced:	N3O3C26H27 (1)
Stoich.:	A3B3C26D27 (1)
Weight, g/mol:	402.236837
ΔH_f, kcal/mol:	-17.74
Dipole, Da:	4.27
IP(EA), eV:	-9.1(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-ethyl-3-[(2R)-2-(2-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-1-(3,3,3-trifluoropropyl)urea

Drug info:

PubChemData

Smile

C1C[C@@H](C2=CC=CC=C2C1)N(C3CC3)C(=O)C4=NN(C(=O)C=C4)CCOC5=CC=CC=C5

DOS

IR

Vibrations