Geometry & MOs

Info

ID:	190876
PubChem CID:	78071683
Reduced:	NOH13C14 (1)
Stoich.:	ABC13D14 (1)
Weight, g/mol:	613.21513
ΔH_f, kcal/mol:	28.93
Dipole, Da:	4.04
IP(EA), eV:	-8.89(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromophenoxy)-4-[3-ethyl-3-methyl-1-[3-(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)piperidin-1-yl]pentyl]benzoic acid

Drug info:

PubChemData

Smile

CC(=C)C=CC1=C2C(=CC=C1)NC=C2C=O

DOS

IR

Vibrations