Geometry & MOs

Info

ID:	171447
PubChem CID:	75378667
Reduced:	FON5C16H18 (1)
Stoich.:	ABC5D16E18 (1)
Weight, g/mol:	342.09429
ΔH_f, kcal/mol:	-11.99
Dipole, Da:	5.47
IP(EA), eV:	-9.05(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-bromophenyl)propan-2-yl]-3-(5-hydroxypentan-2-yl)urea

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)CCNC(=O)NC2=NN(C=C2)CCC#N

DOS

IR

Vibrations