Geometry & MOs

Info

ID:	55464
PubChem CID:	17395426
Reduced:	NOC8H9 (2)
Stoich.:	ABC8D9 (2)
Weight, g/mol:	328.178693
ΔH_f, kcal/mol:	-41.62
Dipole, Da:	4.42
IP(EA), eV:	-8.85(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(=O)NCC2=CC=CC=N2

DOS

IR

Vibrations