Geometry & MOs

Info

ID:	126382
PubChem CID:	50962524
Reduced:	ON4C15H16 (1)
Stoich.:	AB4C15D16 (1)
Weight, g/mol:	326.163043
ΔH_f, kcal/mol:	24.31
Dipole, Da:	7.74
IP(EA), eV:	-8.63(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-acetyl-2,4-dimethyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]-1H-pyrrole-3-carboxamide

Drug info:

PubChemData

Smile

CN(CC1=CC(=O)C2=CC=CC=C2N1)CC3=NC=CN3

DOS

IR

Vibrations