Geometry & MOs

Info

ID:	447370
PubChem CID:	135282350
Reduced:	Cl2N3O4C29H31 (1)
Stoich.:	A2B3C4D29E31 (1)
Weight, g/mol:	362.06413
ΔH_f, kcal/mol:	-111.24
Dipole, Da:	4.93
IP(EA), eV:	-9.2(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[6-bromo-2-(fluoromethyl)pyridin-3-yl]oxy-2,4-dimethylpentan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC(COC1CCNCC1)(C2=CC3=C(C=C2)[C@@](N(C3=O)CC4=NC=C(C=C4)Cl)(C5=CC=C(C=C5)Cl)OC)O

DOS

IR

Vibrations