Geometry & MOs

Info

ID:	447455
PubChem CID:	135283019
Reduced:	ClFN2O2C15H16 (2)
Stoich.:	ABC2D2E15F16 (2)
Weight, g/mol:	343.07831
ΔH_f, kcal/mol:	-205.69
Dipole, Da:	1.76
IP(EA), eV:	-8.82(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-2-methylphenoxy)-(2,4-dimethylpentan-2-yl)carbamic acid

Drug info:

PubChemData

Smile

CCC(C1=CC2=C(C(=C1)F)[C@@](N(C2=O)CC3=NC=C(C=N3)Cl)(C4=CC=C(C=C4)Cl)OCCO)(C5(CCN(CC5)C)F)O

DOS

IR

Vibrations