Geometry & MOs

Info

ID:	78346
PubChem CID:	49688584
Reduced:	NO2C13H14 (2)
Stoich.:	AB2C13D14 (2)
Weight, g/mol:	347.220892
ΔH_f, kcal/mol:	-108.1
Dipole, Da:	4.71
IP(EA), eV:	-8.88(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-3-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]urea

Drug info:

PubChemData

Smile

C1CN(CCC1CNC(=O)COC2=CC3=CC=CC=C3C=C2)C(=O)COC4=CC=CC=C4

DOS

IR

Vibrations