Geometry & MOs

Info

ID:	256212
PubChem CID:	103137765
Reduced:	N3O3C15H17 (1)
Stoich.:	A3B3C15D17 (1)
Weight, g/mol:	270.148061
ΔH_f, kcal/mol:	-60.81
Dipole, Da:	7.1
IP(EA), eV:	-9.91(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-aminoisoquinolin-8-yl)piperidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCC(O1)CN2C(=C(N=N2)C(=O)O)C3=CC=CC=C3

DOS

IR

Vibrations