Geometry & MOs

Info

ID:	236844
PubChem CID:	92714976
Reduced:	N2O4C23H28 (1)
Stoich.:	A2B4C23D28 (1)
Weight, g/mol:	416.07356
ΔH_f, kcal/mol:	-127.93
Dipole, Da:	3.41
IP(EA), eV:	-8.55(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-2-[(3-bromophenyl)methyl]-N-(3-methoxypropyl)-3-oxo-1H-isoindole-1-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CCN2[C@H](C3=CC=CC=C3C2=O)C(=O)NCCCOC

DOS

IR

Vibrations