Geometry & MOs

Info

ID:	234277
PubChem CID:	92298082
Reduced:	ClNOC14H20 (1)
Stoich.:	ABCD14E20 (1)
Weight, g/mol:	295.214744
ΔH_f, kcal/mol:	-65.28
Dipole, Da:	2.61
IP(EA), eV:	-8.74(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(2R)-3-[2-[(2S)-butan-2-yl]phenoxy]-2-hydroxypropyl]amino]butan-1-ol

Drug info:

PubChemData

Smile

CC[C@H](C)C1=CC=CC=C1NC(=O)CCCCl

DOS

IR

Vibrations