Geometry & MOs

Info

ID:	267340
PubChem CID:	103581900
Reduced:	BrNOC14H20 (1)
Stoich.:	ABCD14E20 (1)
Weight, g/mol:	304.02113
ΔH_f, kcal/mol:	-58.8
Dipole, Da:	1.39
IP(EA), eV:	-8.38(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-bromo-3,5-dimethylanilino)methyl]furan-2-carbonitrile

Drug info:

PubChemData

Smile

CC1CC(CCO1)NC2=CC(=C(C(=C2)C)Br)C

DOS

IR

Vibrations