Geometry & MOs

Info

ID:

411621

PubChem CID:

135084453

Reduced:

OH10C12 (1)

Stoich.:

AB10C12 (1)

Weight, g/mol:

299.05209

ΔHf, kcal/mol:

69.22

Dipole, Da:

2.16

IP(EA), eV:

-8.62(-0.34)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

methyl N-(2-bromophenyl)-N-pentan-2-ylcarbamate

Drug info:

PubChemData

Smile

CC#CC#CC1=CC=CC=C1OC

DOS

IR

Vibrations