Geometry & MOs

Info

ID:	284321
PubChem CID:	104042949
Reduced:	ON3C16H17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	246.173213
ΔH_f, kcal/mol:	14.78
Dipole, Da:	4.76
IP(EA), eV:	-9.16(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-methylbutan-1-one

Drug info:

PubChemData

Smile

C1CN(C(C2=CC=CC=C21)CN)C(=O)C3=CC=CC=N3

DOS

IR

Vibrations