Geometry & MOs

Info

ID:	247710
PubChem CID:	103072785
Reduced:	ON3C12H21 (1)
Stoich.:	AB3C12D21 (1)
Weight, g/mol:	254.141913
ΔH_f, kcal/mol:	-32.47
Dipole, Da:	2.73
IP(EA), eV:	-8.53(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(cyclopropylamino)methyl]prop-2-enyl]isoquinolin-1-one

Drug info:

PubChemData

Smile

CC(C)(C)NCC(=C)CN1C=CN(C1=O)C

DOS

IR

Vibrations