Geometry & MOs

Info

ID:	239147
PubChem CID:	93166054
Reduced:	FNO2C17H24 (1)
Stoich.:	ABC2D17E24 (1)
Weight, g/mol:	307.214744
ΔH_f, kcal/mol:	-112.2
Dipole, Da:	2.27
IP(EA), eV:	-9.07(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[(3,4-dimethoxyphenyl)methyl-(2-methylpropyl)amino]-2-methylbut-3-en-2-ol

Drug info:

PubChemData

Smile

C[C@](CN(C[C@@H]1CCCO1)CC2=CC=C(C=C2)F)(C=C)O

DOS

IR

Vibrations