Geometry & MOs

Info

ID:	172472
PubChem CID:	75512825
Reduced:	ClO2N4C17H17 (1)
Stoich.:	AB2C4D17E17 (1)
Weight, g/mol:	289.226646
ΔH_f, kcal/mol:	-29.97
Dipole, Da:	1.49
IP(EA), eV:	-8.71(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]azepane-1-carboximidamide

Drug info:

PubChemData

Smile

C1CN(CC(=O)N1)C(=O)C2=CC=C(C=C2)CNC3=C(C=CC=N3)Cl

DOS

IR

Vibrations