Geometry & MOs

Info

ID:	231016
PubChem CID:	87572462
Reduced:	INC12H14 (1)
Stoich.:	ABC12D14 (1)
Weight, g/mol:	417.04548
ΔH_f, kcal/mol:	50.88
Dipole, Da:	2.04
IP(EA), eV:	-8.68(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[1-[[(5-bromo-6-chloropyridin-3-yl)-formylamino]methyl]cyclopropyl]-2,2-dimethylpropyl]carbamic acid

Drug info:

PubChemData

Smile

C=CCN(C1CCC2=CC=CC=C12)I

DOS

IR

Vibrations