Geometry & MOs

Info

ID:	337260
PubChem CID:	127256942
Reduced:	OSF3N3H8C11 (1)
Stoich.:	ABC3D3E8F11 (1)
Weight, g/mol:	299.05209
ΔH_f, kcal/mol:	-110.01
Dipole, Da:	4.09
IP(EA), eV:	-9.58(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pentan-3-yl N-[3-(bromomethyl)phenyl]carbamate

Drug info:

PubChemData

Smile

CC(=O)/C(=N/NC1=CC=C(C=C1)SC(F)(F)F)/C#N

DOS

IR

Vibrations