Geometry & MOs

Info

ID:	357274
PubChem CID:	127293907
Reduced:	O2F3N4C18H21 (1)
Stoich.:	A2B3C4D18E21 (1)
Weight, g/mol:	382.16166
ΔH_f, kcal/mol:	-188.85
Dipole, Da:	7.85
IP(EA), eV:	-8.88(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(cyclopropylmethyl)piperidin-4-yl]-3-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]urea

Drug info:

PubChemData

Smile

C1CCN(C1)C2CCCN(C2)C(=O)NC3=CC4=C(C=C3)OC(=N4)C(F)(F)F

DOS

IR

Vibrations