Geometry & MOs

Info

ID:	267356
PubChem CID:	103581971
Reduced:	ClNO2C13H16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	312.04734
ΔH_f, kcal/mol:	-56.68
Dipole, Da:	3.7
IP(EA), eV:	-9.3(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-3,5-dimethylphenyl)-3-(oxolan-3-yl)urea

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)NOC2CCCC2)Cl

DOS

IR

Vibrations