Geometry & MOs

Info

ID:	395313
PubChem CID:	135025181
Reduced:	N3O4C24H25 (1)
Stoich.:	A3B4C24D25 (1)
Weight, g/mol:	327.162314
ΔH_f, kcal/mol:	-88.54
Dipole, Da:	6.86
IP(EA), eV:	-9.01(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8-tert-butylpyrido[1,2-b]isoindol-6-yl)-phenylmethanone

Drug info:

PubChemData

Smile

CCC1=NC2=C(C=C(C=C2N(C1=O)C3=CC=C(C=C3)C)OC)C(CC)(C#N)C(=O)OC

DOS

IR

Vibrations