Geometry & MOs

Info

ID:	249691
PubChem CID:	103091392
Reduced:	N2O2C13H16 (1)
Stoich.:	A2B2C13D16 (1)
Weight, g/mol:	221.141579
ΔH_f, kcal/mol:	-10.99
Dipole, Da:	1.95
IP(EA), eV:	-8.96(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(3-ethoxy-2-methoxyphenyl)but-3-en-2-amine

Drug info:

PubChemData

Smile

CC(/C=C/C1=CC(=C(C=C1)OCC#N)OC)N

DOS

IR

Vibrations