Geometry & MOs

Info

ID:	128370
PubChem CID:	51041687
Reduced:	NO3H21C24 (1)
Stoich.:	AB3C21D24 (1)
Weight, g/mol:	425.123878
ΔH_f, kcal/mol:	-22.23
Dipole, Da:	3.93
IP(EA), eV:	-9.12(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenylmethoxy-4-[[4-(trifluoromethyl)phenyl]methyl]-4H-isoquinoline-1,3-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC2C3=CC=CC=C3C(=O)N(C2=O)OCC4=CC=CC=C4

DOS

IR

Vibrations