Geometry & MOs

Info

ID:	241124
PubChem CID:	96021338
Reduced:	NC13H17 (1)
Stoich.:	AB13C17 (1)
Weight, g/mol:	213.15175
ΔH_f, kcal/mol:	14.87
Dipole, Da:	2.56
IP(EA), eV:	-9.01(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-6-methyl-1-[(1E,3E)-penta-1,3-dienyl]-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)[C@H](NCC2)C(=C)C

DOS

IR

Vibrations