Geometry & MOs

Info

ID:	293180
PubChem CID:	117376187
Reduced:	NO3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	249.136493
ΔH_f, kcal/mol:	-80.66
Dipole, Da:	4.72
IP(EA), eV:	-8.63(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[3-methoxy-2-(oxolan-3-yloxy)phenyl]prop-2-en-1-amine

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)C=O)C2(CCC2)CN

DOS

IR

Vibrations