Geometry & MOs

Info

ID:	57851
PubChem CID:	24277785
Reduced:	N4O5H14C21 (1)
Stoich.:	A4B5C14D21 (1)
Weight, g/mol:	250.99458
ΔH_f, kcal/mol:	9.23
Dipole, Da:	5.45
IP(EA), eV:	-9.33(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(3-bromophenyl)furan-2-yl]methanamine

Drug info:

PubChemData

Smile

COC1=CC2=NOC(=C2C=C1N3C(=C(N=N3)C(=O)O)C4=CC=CO4)C5=CC=CC=C5

DOS

IR

Vibrations