Geometry & MOs

Info

ID:	171294
PubChem CID:	75355008
Reduced:	N2S2O3C16H16 (1)
Stoich.:	A2B2C3D16E16 (1)
Weight, g/mol:	265.01023
ΔH_f, kcal/mol:	-49.35
Dipole, Da:	4.78
IP(EA), eV:	-8.9(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-(furan-2-ylmethyl)-5-methylaniline

Drug info:

PubChemData

Smile

CCOC(=O)C1CCC2=C1N=C(S2)NC(=O)C=CC3=CC=CS3

DOS

IR

Vibrations