Geometry & MOs

Info

ID:	404333
PubChem CID:	135065901
Reduced:	BTeF10H13C29 (2)
Stoich.:	ABC10D13E29 (2)
Weight, g/mol:	243.125929
ΔH_f, kcal/mol:	-637.61
Dipole, Da:	10.02
IP(EA), eV:	-8.9(-2.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[benzyl(methyl)amino]-1-(furan-2-yl)propan-1-one

Drug info:

Smile

[B-]1(C(=C([Te+]2C1=C([Te+]3C(=C2C4=CC=CC=C4)[B-](C(=C3C5=CC=CC=C5)C)(C6=C(C(=C(C(=C6F)F)F)F)F)C7=C(C(=C(C(=C7F)F)F)F)F)C8=CC=CC=C8)C9=CC=CC=C9)C)(C1=C(C(=C(C(=C1F)F)F)F)F)C1=C(C(=C(C(=C1F)F)F)F)F

DOS

IR

Vibrations