Geometry & MOs

Info

ID:	313028
PubChem CID:	126610811
Reduced:	N4O7C29H40 (1)
Stoich.:	A4B7C29D40 (1)
Weight, g/mol:	238.087291
ΔH_f, kcal/mol:	-217.28
Dipole, Da:	9.4
IP(EA), eV:	-8.31(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(butoxymethyl)-5-chloro-1H-pyrrolo[2,3-b]pyridine

Drug info:

PubChemData

Smile

CC(C)CCC(=O)NCC1CCCCN1C(=O)OC2=C(C=CC(=C2)N=NC3=CC(=C(C(=C3)OC)OC)OC)OC

DOS

IR

Vibrations