Geometry & MOs

Info

ID:	21756
PubChem CID:	589783
Reduced:	NOC14H21 (1)
Stoich.:	ABC14D21 (1)
Weight, g/mol:	219.162314
ΔH_f, kcal/mol:	-49.51
Dipole, Da:	2.72
IP(EA), eV:	-8.7(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-methyl-3,4-dihydro-2H-isoquinolin-1-yl)butan-2-ol

Drug info:

PubChemData

Smile

CCC(C)(C1(C2=CC=CC=C2CCN1)C)O

DOS

IR

Vibrations