Geometry & MOs

Info

ID:	433218
PubChem CID:	135173355
Reduced:	NC11H20 (2)
Stoich.:	AB11C20 (2)
Weight, g/mol:	446.220557
ΔH_f, kcal/mol:	-45.59
Dipole, Da:	1.58
IP(EA), eV:	-9.39(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-amino-2-methylpropyl)-4-[[6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-oxopyran-3-yl]oxymethyl]benzaldehyde

Drug info:

PubChemData

Smile

CC(C)C(C)(C)CC(C)(C)C1=NC(=CN=C1)C(C)(C)CC(C)(C)C

DOS

IR

Vibrations