Geometry & MOs

Info

ID:	314969
PubChem CID:	126624056
Reduced:	O3C19H36 (1)
Stoich.:	A3B19C36 (1)
Weight, g/mol:	368.88614
ΔH_f, kcal/mol:	-167.67
Dipole, Da:	5.83
IP(EA), eV:	-9.98(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-2-iodo-5-methylphenyl)-methylcarbamic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC=O.CC(=O)C=O

DOS

IR

Vibrations