Geometry & MOs

Info

ID:	431185
PubChem CID:	135171255
Reduced:	ClN5O5C39H42 (1)
Stoich.:	AB5C5D39E42 (1)
Weight, g/mol:	366.216809
ΔH_f, kcal/mol:	-106.71
Dipole, Da:	4.71
IP(EA), eV:	-8.58(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[3-(1H-imidazol-5-ylmethylamino)cyclohexyl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C2=NC=C(C=C2)CN3CCCCC3C(=O)C4CCC4)C5=C(C(=CC=C5)NC(=O)C6=NC=C(C=C6)C(OC)OC)Cl

DOS

IR

Vibrations