Geometry & MOs

Info

ID:	317252
PubChem CID:	126635176
Reduced:	ClON2S2C19H25 (1)
Stoich.:	ABC2D2E19F25 (1)
Weight, g/mol:	412.251464
ΔH_f, kcal/mol:	-16.9
Dipole, Da:	2.69
IP(EA), eV:	-8.73(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-tert-butylphenyl)methoxy]-3-phenyl-2-propylisoindol-1-imine

Drug info:

PubChemData

Smile

CCC(CC(=O)CC(C)SC)C(C)C1=C(N=C(S1)C2=CN=CC=C2)Cl

DOS

IR

Vibrations