Geometry & MOs

Info

ID:	429167
PubChem CID:	135169014
Reduced:	F3O4N6C27H27 (1)
Stoich.:	A3B4C6D27E27 (1)
Weight, g/mol:	251.188529
ΔH_f, kcal/mol:	-233.26
Dipole, Da:	2.54
IP(EA), eV:	-8.97(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-1-[3-(2,3-dimethylbutoxy)phenyl]propan-1-ol

Drug info:

PubChemData

Smile

CC[C@H](C1=CC(=CC=C1)OC(F)(F)F)NC(=O)N2[C@@H](C(C2=O)CC3=CC(=NC=C3)N)C(=O)N(C)C4=CC=NC=C4

DOS

IR

Vibrations