Geometry & MOs

Info

ID:	21587
PubChem CID:	589091
Reduced:	NOC6H6 (2)
Stoich.:	ABC6D6 (2)
Weight, g/mol:	216.089878
ΔH_f, kcal/mol:	-41.38
Dipole, Da:	3.75
IP(EA), eV:	-8.96(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-isoquinolin-1-ylcarbamate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations