Geometry & MOs

Info

ID:	403174
PubChem CID:	135059061
Reduced:	N3O3C19H21 (1)
Stoich.:	A3B3C19D21 (1)
Weight, g/mol:	447.90925
ΔH_f, kcal/mol:	-54.1
Dipole, Da:	4.64
IP(EA), eV:	-9.3(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[2,2-dibromo-1-(furan-2-yl)-2-nitroethyl]carbamate

Drug info:

PubChemData

Smile

CCCCOC(=O)/C=C/C1=CC2=C(N1C(=O)N(C)C)C=CC(=C2)C#N

DOS

IR

Vibrations