Geometry & MOs

Info

ID:	279887
PubChem CID:	103845531
Reduced:	BrON2C13H21 (1)
Stoich.:	ABC2D13E21 (1)
Weight, g/mol:	277.204179
ΔH_f, kcal/mol:	-35.97
Dipole, Da:	2.95
IP(EA), eV:	-9.38(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,4-dihydro-2H-chromen-4-ylmethylamino)methyl]-2-ethylbutan-1-ol

Drug info:

PubChemData

Smile

CCC(CC)(CNCC1=NC=C(C=C1)Br)CO

DOS

IR

Vibrations