Geometry & MOs

Info

ID:	396597
PubChem CID:	135028816
Reduced:	NH19C21 (1)
Stoich.:	AB19C21 (1)
Weight, g/mol:	315.108228
ΔH_f, kcal/mol:	87.7
Dipole, Da:	1.93
IP(EA), eV:	-8.91(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-methoxy-1-[(E)-3,3,3-trifluoroprop-1-enyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)C2=CC=CC=C2N=CC3=CC=CC=C3

DOS

IR

Vibrations