Geometry & MOs

Info

ID:	130677
PubChem CID:	51091985
Reduced:	FN2O2C16H23 (1)
Stoich.:	AB2C2D16E23 (1)
Weight, g/mol:	294.174356
ΔH_f, kcal/mol:	-141.18
Dipole, Da:	4.29
IP(EA), eV:	-9.64(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)NC(=O)NCC1(CCOCC1)C2=CC(=CC=C2)F

DOS

IR

Vibrations