Geometry & MOs

Info

ID:	256210
PubChem CID:	103137751
Reduced:	ON2C16H22 (1)
Stoich.:	AB2C16D22 (1)
Weight, g/mol:	270.148061
ΔH_f, kcal/mol:	-7.15
Dipole, Da:	3.18
IP(EA), eV:	-9.17(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-aminoisoquinolin-8-yl)-N-methylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCNC(CCOC)C1=CC=CC2=C1C=NC=C2

DOS

IR

Vibrations