Geometry & MOs

Info

ID:	189598
PubChem CID:	77878390
Reduced:	BrFO8C23H28 (1)
Stoich.:	ABC8D23E28 (1)
Weight, g/mol:	309.149557
ΔH_f, kcal/mol:	-253.42
Dipole, Da:	7.07
IP(EA), eV:	-9.5(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-2-ethyl-6-prop-1-enylphenyl)-N-(1-methoxypropan-2-yl)acetamide

Drug info:

PubChemData

Smile

CC12CCC3C(C1CC(C2(C(=O)C(CC(=O)O)O)O)O)CC(C4=CC(=O)C(=CC34C)Br)OF

DOS

IR

Vibrations