Geometry & MOs

Info

ID:	241791
PubChem CID:	96024276
Reduced:	N3C14H17 (1)
Stoich.:	A3B14C17 (1)
Weight, g/mol:	245.141579
ΔH_f, kcal/mol:	46.24
Dipole, Da:	1.5
IP(EA), eV:	-9.06(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-[(1R)-6,7-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]prop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@H]2C3=CC=NN3)C=C1)C

DOS

IR

Vibrations