Geometry & MOs

Info

ID:	43745
PubChem CID:	10321729
Reduced:	N4O6C23H26 (1)
Stoich.:	A4B6C23D26 (1)
Weight, g/mol:	454.175579
ΔH_f, kcal/mol:	-128.3
Dipole, Da:	11.51
IP(EA), eV:	-9.04(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,4R)-4-methyl-4-phenyl-2,3-dihydro-1H-naphthalen-1-yl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=C(C1C2=CN=CN2CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCC)C)C

DOS

IR

Vibrations