Geometry & MOs

Info

ID:	20423
PubChem CID:	583865
Reduced:	NO2C13H17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	219.125929
ΔH_f, kcal/mol:	-82.0
Dipole, Da:	3.65
IP(EA), eV:	-9.37(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-1H-isochromen-1-ylmethyl)propanamide

Drug info:

PubChemData

Smile

CCC(=O)NCC1C2=CC=CC=C2CCO1

DOS

IR

Vibrations