Geometry & MOs

Info

ID:	45655
PubChem CID:	10516120
Reduced:	NO4C14H23 (1)
Stoich.:	AB4C14D23 (1)
Weight, g/mol:	269.141579
ΔH_f, kcal/mol:	-218.49
Dipole, Da:	3.66
IP(EA), eV:	-9.91(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2-methoxyanilino)but-3-enyl]phenol

Drug info:

PubChemData

Smile

CC(C)[C@H]1C(=O)C[C@H](C(=O)N1)CC(=O)OC(C)(C)C

DOS

IR

Vibrations