Geometry & MOs

Info

ID:	396579
PubChem CID:	135028796
Reduced:	N2F3O4C25H25 (1)
Stoich.:	A2B3C4D25E25 (1)
Weight, g/mol:	450.215472
ΔH_f, kcal/mol:	-285.59
Dipole, Da:	5.64
IP(EA), eV:	-8.66(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-(6,7-dimethoxy-2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)-5-oxo-2H-pyrrole-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC=C(C1=O)C2C3=CC=CC=C3CCN2C4=CC=C(C=C4)OC(F)(F)F

DOS

IR

Vibrations