Geometry & MOs

Info

ID:	22789
PubChem CID:	598735
Reduced:	ON2C14H16 (1)
Stoich.:	AB2C14D16 (1)
Weight, g/mol:	228.126263
ΔH_f, kcal/mol:	-12.94
Dipole, Da:	2.18
IP(EA), eV:	-8.81(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-isoquinolin-1-yl-2,2-dimethylpropanamide

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)NC1=NC=CC2=CC=CC=C21

DOS

IR

Vibrations