Geometry & MOs

Info

ID:	148795
PubChem CID:	53788464
Reduced:	O4F6H16C21 (1)
Stoich.:	A4B6C16D21 (1)
Weight, g/mol:	296.282764
ΔH_f, kcal/mol:	-456.33
Dipole, Da:	5.53
IP(EA), eV:	-9.93(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

heptadec-8-enylurea

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CC(=C(CC(=O)O)C(=O)O)CC2=CC=CC=C2C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations