Geometry & MOs

Info

ID:	172401
PubChem CID:	75504638
Reduced:	ON2C7H12 (2)
Stoich.:	AB2C7D12 (2)
Weight, g/mol:	247.168462
ΔH_f, kcal/mol:	-76.42
Dipole, Da:	6.23
IP(EA), eV:	-9.52(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-methylfuran-2-yl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CC1=NN=C(O1)C(C)NC(CC(=O)N)C2CCCCC2

DOS

IR

Vibrations