Geometry & MOs

Info

ID:	229955
PubChem CID:	87569636
Reduced:	N3O6C34H49 (1)
Stoich.:	A3B6C34D49 (1)
Weight, g/mol:	247.093247
ΔH_f, kcal/mol:	-193.14
Dipole, Da:	8.72
IP(EA), eV:	-8.36(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-amino-2,2,3-trifluoro-3-phenylpropyl)urea

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC(C)NC2=C(C(=O)C2=O)NC[C@@H]([C@H](C[C@H](CC3=CC(=C(C=C3)OC)OCCCOC)C(C)C)N)O

DOS

IR

Vibrations