Geometry & MOs

Info

ID:	277562
PubChem CID:	103829471
Reduced:	N2O3C10H14 (1)
Stoich.:	A2B3C10D14 (1)
Weight, g/mol:	278.082205
ΔH_f, kcal/mol:	-83.01
Dipole, Da:	5.41
IP(EA), eV:	-9.56(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-N-(2-methylpropoxy)isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)CONC(=O)C1=CC(=O)NC=C1

DOS

IR

Vibrations