Geometry & MOs

Info

ID:	79799
PubChem CID:	49830490
Reduced:	N2O2C23H24 (1)
Stoich.:	A2B2C23D24 (1)
Weight, g/mol:	327.137162
ΔH_f, kcal/mol:	-21.33
Dipole, Da:	1.99
IP(EA), eV:	-8.83(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide

Drug info:

PubChemData

Smile

CCCOC1=CC=CC(=C1)C(C)NC(=O)C2=CC=C(C=C2)C3=CC=NC=C3

DOS

IR

Vibrations