Geometry & MOs

Info

ID:	247636
PubChem CID:	103072501
Reduced:	ON2C14H18 (1)
Stoich.:	AB2C14D18 (1)
Weight, g/mol:	272.188863
ΔH_f, kcal/mol:	-8.75
Dipole, Da:	4.82
IP(EA), eV:	-8.7(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(tert-butylamino)methyl]prop-2-enyl]-3,4-dihydroisoquinolin-1-one

Drug info:

PubChemData

Smile

CNCC(=C)CN1CCC2=CC=CC=C2C1=O

DOS

IR

Vibrations