Geometry & MOs

Info

ID:	748
PubChem CID:	3309
Reduced:	O2N3C23H29 (1)
Stoich.:	A2B3C23D29 (1)
Weight, g/mol:	379.225977
ΔH_f, kcal/mol:	-39.54
Dipole, Da:	5.57
IP(EA), eV:	-8.19(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-3-[4-(2-piperidin-1-ylethoxy)anilino]-3H-isoindol-1-one

Drug info:

PubChemData

Smile

CCN1C(C2=CC=CC=C2C1=O)NC3=CC=C(C=C3)OCCN4CCCCC4

DOS

IR

Vibrations