Geometry & MOs

Info

ID:	249753
PubChem CID:	103091869
Reduced:	SN2C9H14 (1)
Stoich.:	AB2C9D14 (1)
Weight, g/mol:	249.172879
ΔH_f, kcal/mol:	24.28
Dipole, Da:	3.85
IP(EA), eV:	-9.13(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-4-(3-methoxy-4-propoxyphenyl)-3-methylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C=C(C)C(C)N

DOS

IR

Vibrations