Geometry & MOs

Info

ID:	237113
PubChem CID:	92717392
Reduced:	FON3C17H24 (1)
Stoich.:	ABC3D17E24 (1)
Weight, g/mol:	379.12593
ΔH_f, kcal/mol:	-81.62
Dipole, Da:	2.28
IP(EA), eV:	-8.7(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-3-methylphenyl)-3-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]urea

Drug info:

PubChemData

Smile

C1CCC(C1)N2CC[C@@H](C2)CNC(=O)NC3=CC=CC=C3F

DOS

IR

Vibrations