Geometry & MOs

Info

ID:	198521
PubChem CID:	79113533
Reduced:	BrN2O5H11C13 (1)
Stoich.:	AB2C5D11E13 (1)
Weight, g/mol:	209.141579
ΔH_f, kcal/mol:	-79.61
Dipole, Da:	10.8
IP(EA), eV:	-9.74(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-[3-(pent-4-enoxymethyl)furan-2-yl]methanamine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CN2C=C(C=C2Br)C(=O)O)[N+](=O)[O-]

DOS

IR

Vibrations