Geometry & MOs

Info

ID:	373524
PubChem CID:	131316493
Reduced:	ON3C12H21 (1)
Stoich.:	AB3C12D21 (1)
Weight, g/mol:	217.146664
ΔH_f, kcal/mol:	-34.69
Dipole, Da:	3.58
IP(EA), eV:	-9.0(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-ethoxy-1-prop-1-enyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1(CCC2=NN(C=C2C1(CCN)O)C)C

DOS

IR

Vibrations