Geometry & MOs

Info

ID:	263544
PubChem CID:	103377020
Reduced:	NO2C14H23 (1)
Stoich.:	AB2C14D23 (1)
Weight, g/mol:	327.08339
ΔH_f, kcal/mol:	-101.01
Dipole, Da:	2.15
IP(EA), eV:	-9.09(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-(aminomethyl)-6-bromo-3,4-dihydro-1H-naphthalen-2-yl]oxy]butan-2-ol

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(CN)OC(C)C(C)O)C

DOS

IR

Vibrations