Geometry & MOs

Info

ID:	345921
PubChem CID:	127270221
Reduced:	FON6C18H23 (1)
Stoich.:	ABC6D18E23 (1)
Weight, g/mol:	360.207388
ΔH_f, kcal/mol:	-8.65
Dipole, Da:	8.53
IP(EA), eV:	-8.75(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-3-[1-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-yl]urea

Drug info:

PubChemData

Smile

CC1=NN=C(N1C2CC2)CN3CCC(C3)NC(=O)NC4=CC=C(C=C4)F

DOS

IR

Vibrations