Geometry & MOs

Info

ID:	145353
PubChem CID:	53506296
Reduced:	OF3N5C14H16 (1)
Stoich.:	AB3C5D14E16 (1)
Weight, g/mol:	318.151433
ΔH_f, kcal/mol:	-144.44
Dipole, Da:	2.67
IP(EA), eV:	-9.26(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methyl-1-thiophen-2-ylpropyl)-3-[2-(pyridin-2-ylamino)ethyl]urea

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)NCC2=NN=C3N2C=CC=C3)C(F)(F)F

DOS

IR

Vibrations