Geometry & MOs

Info

ID:	137234
PubChem CID:	52175199
Reduced:	BrNOC12H16 (1)
Stoich.:	ABCD12E16 (1)
Weight, g/mol:	385.0413
ΔH_f, kcal/mol:	-22.21
Dipole, Da:	2.0
IP(EA), eV:	-8.86(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1S)-1-(furan-2-yl)-2-[(4-iodobenzoyl)amino]ethyl]-dimethylazanium

Drug info:

PubChemData

Smile

C[C@H]1COCCN1CC2=CC=C(C=C2)Br

DOS

IR

Vibrations