Geometry & MOs

Info

ID:	448598
PubChem CID:	135292150
Reduced:	ON5C31H33 (1)
Stoich.:	AB5C31D33 (1)
Weight, g/mol:	439.237211
ΔH_f, kcal/mol:	132.64
Dipole, Da:	2.0
IP(EA), eV:	-8.75(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(3-cyano-6-cyclopropyl-5-isoquinolin-5-ylpyridin-2-yl)-propylamino]ethyl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

C1CC1C2CN(CCN2C(=C3CC3)CCO)C4=NC(=C(C=C4C#N)C5=CC=CC6=C5C=CN=C6)C7CC7

DOS

IR

Vibrations