Geometry & MOs

Info

ID:	169252
PubChem CID:	75080197
Reduced:	N2O2C19H30 (1)
Stoich.:	A2B2C19D30 (1)
Weight, g/mol:	371.134443
ΔH_f, kcal/mol:	-96.61
Dipole, Da:	2.39
IP(EA), eV:	-8.36(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6,7-dimethoxy-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinolin-1-yl]-2-methylbut-2-enal

Drug info:

PubChemData

Smile

CC=C(C(C(C)C)NCC1=CC=C(C=C1)N)C(=O)OC(C)(C)C

DOS

IR

Vibrations