Geometry & MOs

Info

ID:	435845
PubChem CID:	135192564
Reduced:	FN3O3C24H28 (1)
Stoich.:	AB3C3D24E28 (1)
Weight, g/mol:	349.261694
ΔH_f, kcal/mol:	-119.04
Dipole, Da:	7.1
IP(EA), eV:	-8.87(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-hydroxybutan-2-yl)phenyl]ethyl 2,4,4-trimethyl-2-(methylamino)pentanoate

Drug info:

PubChemData

Smile

CC[C@@]1(C2=C(CON1)C(=O)N3CC4=C5CCCC(=C(C)C)C5=C(N=C4C3=C2)CCF)O

DOS

IR

Vibrations