Geometry & MOs

Info

ID:	173862
PubChem CID:	75691311
Reduced:	N2S2O3C13H14 (1)
Stoich.:	A2B2C3D13E14 (1)
Weight, g/mol:	355.200825
ΔH_f, kcal/mol:	-76.97
Dipole, Da:	3.92
IP(EA), eV:	-9.35(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2-methoxyphenyl)ethyl]-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C(=O)OC(C)C(=O)NCC2=CC=CS2

DOS

IR

Vibrations