Geometry & MOs

Info

ID:	29140
PubChem CID:	831891
Reduced:	N3O3C14H15 (1)
Stoich.:	A3B3C14D15 (1)
Weight, g/mol:	241.146664
ΔH_f, kcal/mol:	-70.66
Dipole, Da:	5.16
IP(EA), eV:	-9.03(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(furan-2-yl)-3-methylbut-3-enyl]-4-methylaniline

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C(=O)NC2=CC=CC=C2C(=O)OC

DOS

IR

Vibrations