Geometry & MOs

Info

ID:	323245
PubChem CID:	126673770
Reduced:	O3N4H14C16 (1)
Stoich.:	A3B4C14D16 (1)
Weight, g/mol:	397.8936
ΔH_f, kcal/mol:	-13.36
Dipole, Da:	11.89
IP(EA), eV:	-9.39(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-(2,5-dibromo-3-nitrophenoxy)propyl]carbamic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C=NC(=N2)C3=CN=C(C=C3)C(=O)O

DOS

IR

Vibrations