Geometry & MOs

Info

ID:	291739
PubChem CID:	113462487
Reduced:	NO3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	266.135446
ΔH_f, kcal/mol:	-122.93
Dipole, Da:	4.01
IP(EA), eV:	-8.88(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-carbamimidoylcyclohexyl)-3-(2,2,2-trifluoroethyl)urea

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1NC(=O)[C@@H]2CCCO2)O

DOS

IR

Vibrations