Geometry & MOs

Info

ID:	256486
PubChem CID:	103139562
Reduced:	ON2C11H14 (1)
Stoich.:	AB2C11D14 (1)
Weight, g/mol:	234.090546
ΔH_f, kcal/mol:	-0.94
Dipole, Da:	5.52
IP(EA), eV:	-9.14(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-aminoisoquinolin-8-yl)pyrrole-2-carbonitrile

Drug info:

PubChemData

Smile

CC1CCC(O1)CN2C=CC=C2C#N

DOS

IR

Vibrations