Geometry & MOs

Info

ID:	206807
PubChem CID:	80304084
Reduced:	NO2C18H27 (1)
Stoich.:	AB2C18D27 (1)
Weight, g/mol:	288.147393
ΔH_f, kcal/mol:	-114.5
Dipole, Da:	3.14
IP(EA), eV:	-9.06(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethyl-4-hydroxybutyl)-1-oxo-2H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CCC(CCO)CNC(=O)CC1=CC2=C(CCCC2)C=C1

DOS

IR

Vibrations