Geometry & MOs

Info

ID:	137370
PubChem CID:	52200069
Reduced:	O3N4C22H24 (1)
Stoich.:	A3B4C22D24 (1)
Weight, g/mol:	323.200905
ΔH_f, kcal/mol:	-38.77
Dipole, Da:	3.22
IP(EA), eV:	-8.75(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluoro-2-methoxyphenyl)-3-[3-[(3S)-3-methylpiperidin-1-yl]propyl]urea

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=CC=CC=C2NC(=O)N(C)C[C@H]3COC4=CC=CC=C4O3)C

DOS

IR

Vibrations