Geometry & MOs

Info

ID:	250001
PubChem CID:	103093416
Reduced:	NO2C17H27 (1)
Stoich.:	AB2C17D27 (1)
Weight, g/mol:	277.204179
ΔH_f, kcal/mol:	-72.55
Dipole, Da:	1.46
IP(EA), eV:	-8.11(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)/C=C(/C)\C(C)NCC)OC

DOS

IR

Vibrations