Geometry & MOs

Info

ID:	309345
PubChem CID:	126545556
Reduced:	OF2N4H10C11 (2)
Stoich.:	AB2C4D10E11 (2)
Weight, g/mol:	354.155512
ΔH_f, kcal/mol:	-75.22
Dipole, Da:	6.77
IP(EA), eV:	-9.36(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(7S)-3,6-dimethyl-2-oxatricyclo[3.3.1.13,7]decan-1-yl]-3-(2,3,4-trifluorophenyl)urea

Drug info:

PubChemData

Smile

CNN/C(=N/C1=NC=C(C=N1)C2=CC(=C(C=C2)CC(=O)NC3=NOC(=C3)C4(CC4)C(F)(F)F)F)/C=N

DOS

IR

Vibrations