Geometry & MOs

Info

ID:	343938
PubChem CID:	127267114
Reduced:	ON5C13H17 (1)
Stoich.:	AB5C13D17 (1)
Weight, g/mol:	303.119461
ΔH_f, kcal/mol:	16.54
Dipole, Da:	2.53
IP(EA), eV:	-8.65(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-[2-(trifluoromethyl)phenyl]urea

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)NC(C)(C)C2=NNN=C2

DOS

IR

Vibrations