Geometry & MOs

Info

ID:	130676
PubChem CID:	51091982
Reduced:	O2F3N3C16H18 (1)
Stoich.:	A2B3C3D16E18 (1)
Weight, g/mol:	294.174356
ΔH_f, kcal/mol:	-196.25
Dipole, Da:	3.45
IP(EA), eV:	-9.56(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3-propan-2-ylurea

Drug info:

PubChemData

Smile

C1CC(N(C1)CCOC2=CC=CC(=C2)C#N)C(=O)NCC(F)(F)F

DOS

IR

Vibrations