Geometry & MOs

Info

ID:	59893
PubChem CID:	24902268
Reduced:	NOC12H17 (1)
Stoich.:	ABC12D17 (1)
Weight, g/mol:	248.188863
ΔH_f, kcal/mol:	-47.54
Dipole, Da:	2.7
IP(EA), eV:	-9.08(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3-aminopropyl)-3,4-dihydro-1H-isoquinolin-6-yl]propan-2-ol

Drug info:

PubChemData

Smile

CC(C)(C1=CC2=C(CNCC2)C=C1)O

DOS

IR

Vibrations