Geometry & MOs

Info

ID:	239170
PubChem CID:	93166082
Reduced:	FNOC19H22 (1)
Stoich.:	ABCD19E22 (1)
Weight, g/mol:	341.199094
ΔH_f, kcal/mol:	-35.31
Dipole, Da:	1.35
IP(EA), eV:	-8.95(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@](CN(CC1=CC=CC=C1)CC2=CC=CC=C2F)(C=C)O

DOS

IR

Vibrations